Seven useful questions in density functional theory
We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and why progress toward resolving them would help those doing computations using density functional theory. Subjects covered...
Saved in:
| Published in | Letters in mathematical physics Vol. 113; no. 2 |
|---|---|
| Main Authors | , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Dordrecht
Springer Netherlands
09.04.2023
Springer |
| Subjects | |
| Online Access | Get full text |
Cover
Loading…
| Abstract | We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and why progress toward resolving them would help those doing computations using density functional theory. Subjects covered include the magnitude of the kinetic energy in Hartree–Fock calculations, the shape of adiabatic connection curves, using the constrained search with input densities, densities of states, the semiclassical expansion of energies, the tightness of Lieb–Oxford bounds, and how we decide the accuracy of an approximate density. |
|---|---|
| AbstractList | We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and why progress toward resolving them would help those doing computations using density functional theory. Subjects covered include the magnitude of the kinetic energy in Hartree–Fock calculations, the shape of adiabatic connection curves, using the constrained search with input densities, densities of states, the semiclassical expansion of energies, the tightness of Lieb–Oxford bounds, and how we decide the accuracy of an approximate density. Not provided. |
| ArticleNumber | 42 |
| Author | Kozlowski, John Kalita, Bhupalee Burke, Kieron Datchev, Kiril Wasserman, Adam Crisostomo, Steven Cancio, Antonio C. Pederson, Ryan Song, Suhwan |
| Author_xml | – sequence: 1 givenname: Steven orcidid: 0000-0002-4563-2349 surname: Crisostomo fullname: Crisostomo, Steven email: crisosts@uci.edu organization: Department of Physics and Astronomy, University of California – sequence: 2 givenname: Ryan surname: Pederson fullname: Pederson, Ryan organization: Department of Physics and Astronomy, University of California – sequence: 3 givenname: John surname: Kozlowski fullname: Kozlowski, John organization: Department of Chemistry, University of California – sequence: 4 givenname: Bhupalee surname: Kalita fullname: Kalita, Bhupalee organization: Department of Chemistry, University of California – sequence: 5 givenname: Antonio C. surname: Cancio fullname: Cancio, Antonio C. email: accancio@bsu.edu organization: Department of Physics and Astronomy, Ball State University – sequence: 6 givenname: Kiril surname: Datchev fullname: Datchev, Kiril email: kdatchev@purdue.edu organization: Department of Mathematics, Purdue University – sequence: 7 givenname: Adam surname: Wasserman fullname: Wasserman, Adam email: awasser@purdue.edu organization: Department of Chemistry, Purdue University, Department of Physics and Astronomy, Purdue University – sequence: 8 givenname: Suhwan surname: Song fullname: Song, Suhwan organization: Department of Chemistry, University of California, Department of Chemistry, Yonsei University – sequence: 9 givenname: Kieron surname: Burke fullname: Burke, Kieron email: kieron@uci.edu organization: Department of Physics and Astronomy, University of California, Department of Chemistry, University of California |
| BackLink | https://www.osti.gov/biblio/2419270$$D View this record in Osti.gov |
| BookMark | eNp9kE1PAyEQQImpiW31D3jaeF8doCzbo2nUmjTxoJ4Jy4fdZgUF1mT766WuB-Ohp5mBeTPwZmjivDMIXWK4xgD8JuIcWAmEloCripX7EzTFjOeSUZj8yc_QLMYdZIgwmCL6bL6MK_pobN8Vn72JqfUuFq0rtHGxTUNhe6cOh7Ir0tb4MJyjUyu7aC5-4xy93t-9rNbl5unhcXW7KRXFdSpZpepFrWqtGmY5VcAXXJGGKbB5OZZsqTklIBnoWmotCdf5jrPKNrhpZEXn6Gqc6_OjRFRtMmqrvHNGJUEWeEk45CYyNqngYwzGio_QvsswCAzi4EaMbkR2I37ciH2G6n9QHi4Pn0xBtt1xlI5ozHvcmwli5_uQ5cRj1DdD13uC |
| CitedBy_id | crossref_primary_10_1021_acs_jpclett_3c02017 crossref_primary_10_1103_PhysRevB_109_195120 crossref_primary_10_1063_5_0157942 crossref_primary_10_1063_5_0184934 crossref_primary_10_1063_5_0179278 crossref_primary_10_1088_1751_8121_ad74be crossref_primary_10_1021_acs_jpca_4c07690 crossref_primary_10_1021_acs_jctc_3c00441 crossref_primary_10_1063_5_0172058 |
| Cites_doi | 10.1016/0038-1098(75)90618-3 10.1021/acs.jctc.9b00826 10.1063/1.1390175 10.1103/PhysRevLett.65.1478 10.1098/rspa.1956.0094 10.1143/JPSJ.76.113708 10.1139/p80-159 10.1103/PhysRevA.32.2010 10.1103/PhysRevA.29.2331 10.1146/annurev-physchem-062422-013259 10.4171/JEMS/1062 10.1103/PhysRevA.81.032122 10.1103/RevModPhys.34.627 10.1103/PhysRevLett.115.036402 10.1103/PhysRevLett.103.066401 10.1088/0953-8984/27/39/393001 10.1002/qua.26554 10.1016/0001-8708(77)90108-6 10.1103/PhysRevLett.106.050401 10.1103/PhysRevA.28.544 10.1007/s11005-023-01631-9 10.1002/qua.24321 10.1038/nphys1370 10.1088/1751-8121/ab69a6 10.1007/BF01206884 10.1038/s41586-022-04725-x 10.1080/00268976.2015.1136440 10.1103/PhysRevLett.31.681 10.1103/PhysRevA.52.3628 10.1063/5.0105684 10.1103/PhysRev.140.A1133 10.1103/PhysRevA.22.1827 10.1146/annurev-physchem-052516-044957 10.1007/BF01337700 10.1103/PhysRevB.100.035127 10.1063/1.1858371 10.1103/PhysRevB.57.8972 10.1146/annurev-conmatphys-031620-102024 10.1103/PhysRevLett.108.076401 10.1103/PhysRevA.24.2353 10.1103/PhysRevB.95.035120 10.1038/s42254-021-00348-9 10.1103/PhysRevA.99.052501 10.1103/PhysRevA.93.042511 10.1103/PhysRevA.24.680 10.1016/j.cplett.2014.11.060 10.1063/1.481099 10.1017/S0305004100011683 10.1088/0305-4608/4/8/013 10.1103/PhysRevB.13.4274 10.1103/RevModPhys.53.603 10.1080/00268976.2017.1333644 10.1021/acs.jctc.6b00637 10.1103/PhysRevA.88.062512 10.1103/PhysRevB.90.045109 10.1146/annurev-conmatphys-031218-013413 10.1103/PhysRevLett.72.2981 10.1063/1.5021597 10.1073/pnas.1006652108 10.1038/s41586-019-1666-5 10.1142/S021820259600016X 10.1103/PhysRevB.26.1781 10.1063/5.0040941 10.1016/s0034-4877(19)30057-6 10.1103/PhysRevLett.127.116401 10.1103/PhysRevLett.111.093003 10.1103/PhysRevLett.124.206401 10.1103/PhysRevA.29.2353 10.1103/PhysRevA.106.042807 10.1063/1.478234 10.1038/nature16961 10.1016/S1380-7323(96)80088-4 10.1063/1.3522767 10.1103/PhysRevA.94.062509 10.1103/PhysRevLett.129.153001 10.1103/PhysRevLett.97.223002 10.1007/s00220-021-04140-9 10.4171/JST/59 10.1103/PhysRevA.64.022501 10.1103/PhysRev.136.B864 10.1021/acs.jctc.1c01045 10.1063/5.0074249 10.1103/PhysRevLett.111.073003 10.1021/acs.jctc.1c01206 10.1103/PhysRevB.23.5048 10.1103/PhysRevA.81.032516 10.1017/S0305004100016108 10.1021/acs.jctc.2c00953 10.1063/1.3380834 10.1038/s41586-022-04501-x 10.1063/1.4870763 10.1063/1.472933 10.1002/qua.560190306 10.1126/science.abe8770 10.1021/acs.jctc.0c00391 10.1039/C4CP00118D 10.1103/PhysRevA.30.2745 10.1103/PhysRevB.48.11638 10.1103/PhysRevA.29.2339 10.1103/RevModPhys.73.33 10.1103/PhysRevA.59.3075 10.1063/1.473182 10.1098/rspa.1963.0204 10.1007/BF01340281 10.1063/1.4959126 10.1002/qua.560240302 10.1021/jf501687c 10.1007/s00205-022-01804-1 10.1038/s41586-021-03819-2 10.1016/j.comptc.2010.09.002 10.1103/PhysRevA.55.191 10.1038/natrevmats.2015.4 10.1103/PhysRevA.26.2322 10.1006/aima.1994.1060 10.1021/jacs.1c11506 10.1140/epjb/e2018-90114-9 10.1063/1.2747248 10.1146/annurev-physchem-040214-121420 10.1073/pnas.76.12.6062 10.1002/qua.560440828 10.1126/science.aah5975 10.1073/pnas.1812905116 10.1103/PhysRevLett.77.3865 10.1103/RevModPhys.61.689 10.1002/wcms.1617 10.1002/qua.10551 10.1038/s41586-022-04456-z 10.1016/j.softx.2017.11.002 10.1137/080729050 10.1080/14786436108243318 10.1103/PhysRevA.32.26 10.1103/PhysRevB.60.2299 10.1016/bs.aiq.2015.02.004 10.1142/S0217984992001137 10.48550/ARXIV.2205.11487 10.1021/bk-1996-0629.ch003 10.1007/978-3-642-23518-4_5 10.1007/978-3-319-06379-9_23 10.1016/S0065-3276(03)43002-5 10.4171/90-2/36 10.48550/ARXIV.2007.09326 10.1007/3-540-19204-2 10.1007/978-3-030-30557-4 10.1142/13303 10.1142/9789812775702_0040 10.1142/8633 10.1007/978-3-030-59088-8 10.48550/ARXIV.2207.02213 10.1007/978-3-642-14090-7 10.48550/ARXIV.2204.02311 10.1002/pssb.2221230238 10.48550/ARXIV.2203.12473 10.22331/q-2018-08-06-79 10.48550/ARXIV.2105.04384 10.48550/ARXIV.2202.10800 10.1002/pssb.2221240140 10.1080/14786440808520234 10.1002/9783527628025.ch1 10.48550/ARXIV.COND-MAT/9607046 10.1017/CBO9780511662195 10.1007/978-1-4899-0316-7_7 10.1007/978-3-031-22340-2_1 10.4171/90-1/3 10.1142/9789812777843_0040 10.1007/978-0-387-85650-6_14 |
| ContentType | Journal Article |
| Copyright | The Author(s), under exclusive licence to Springer Nature B.V. 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
| Copyright_xml | – notice: The Author(s), under exclusive licence to Springer Nature B.V. 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
| CorporateAuthor | Univ. of California, Irvine, CA (United States) |
| CorporateAuthor_xml | – name: Univ. of California, Irvine, CA (United States) |
| DBID | AAYXX CITATION OTOTI |
| DOI | 10.1007/s11005-023-01665-z |
| DatabaseName | CrossRef OSTI.GOV |
| DatabaseTitle | CrossRef |
| DatabaseTitleList | |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Applied Sciences Mathematics Physics |
| EISSN | 1573-0530 |
| ExternalDocumentID | 2419270 10_1007_s11005_023_01665_z |
| GrantInformation_xml | – fundername: National Science Foundation grantid: CHE-2154371 funderid: http://dx.doi.org/10.13039/100000001 – fundername: U.S. Department of Energy grantid: DE-FG02-08ER46496; DMS-1708511; CHE-1900301 |
| GroupedDBID | -54 -5F -5G -BR -EM -~C -~X .86 .VR 06D 0R~ 0VY 199 1N0 203 29L 29~ 2J2 2JN 2JY 2KG 2KM 2LR 2~H 30V 4.4 406 408 409 40D 40E 5GY 5VS 67Z 6NX 78A 8TC 8UJ 95- 95. 95~ 96X AAAVM AABHQ AACDK AAHNG AAIAL AAJBT AAJKR AANZL AARTL AASML AATNV AATVU AAUYE AAWCG AAYIU AAYQN AAYZH ABAKF ABBBX ABBXA ABDBF ABDZT ABECU ABFTV ABHLI ABHQN ABJNI ABJOX ABKCH ABKTR ABMNI ABMQK ABNWP ABQBU ABSXP ABTEG ABTHY ABTKH ABTMW ABWNU ABXPI ACAOD ACDTI ACGFS ACHSB ACHXU ACIWK ACKNC ACMDZ ACMLO ACOKC ACOMO ACPIV ACUHS ACZOJ ADHHG ADHIR ADIMF ADINQ ADKNI ADKPE ADRFC ADTPH ADURQ ADYFF ADZKW AEFQL AEGAL AEGNC AEJHL AEJRE AEMSY AENEX AEOHA AEPYU AESKC AETLH AEVLU AEXYK AFBBN AFLOW AFQWF AFWTZ AFZKB AGAYW AGDGC AGJBK AGMZJ AGQEE AGQMX AGRTI AGWIL AGWZB AGYKE AHAVH AHBYD AHKAY AHSBF AHYZX AIAKS AIGIU AIIXL AILAN AITGF AJRNO AJZVZ ALMA_UNASSIGNED_HOLDINGS ALWAN AMKLP AMXSW AMYLF AMYQR AOCGG ARMRJ ASPBG AVWKF AXYYD AYJHY AZFZN B-. B0M BA0 BGNMA BSONS CS3 CSCUP DDRTE DL5 DNIVK DPUIP DU5 EAD EAP EBLON EBS EIOEI EMK EPL ESBYG ESX FEDTE FERAY FFXSO FIGPU FNLPD FRRFC FWDCC GGCAI GGRSB GJIRD GNWQR GQ6 GQ7 GQ8 GXS HF~ HG5 HG6 HMJXF HQYDN HRMNR HVGLF HZ~ I09 IHE IJ- IKXTQ ITM IWAJR IXC IZIGR IZQ I~X I~Z J-C J0Z JBSCW JCJTX JZLTJ KDC KOV LAK LLZTM M4Y MA- NB0 NPVJJ NQJWS NU0 O93 O9G O9I O9J OAM P19 P2P P9T PF0 PT4 PT5 QOK QOS R89 R9I RHV RNS ROL RPX RSV S16 S27 S3B SAP SDH SDM SHX SISQX SJYHP SNE SNPRN SNX SOHCF SOJ SPH SPISZ SRMVM SSLCW STPWE SZN T13 TSG TSK TSV TUC TUS U2A UG4 UOJIU UTJUX VC2 W23 W48 WH7 WK8 YLTOR YQT Z45 ZMTXR ~8M ~EX AAPKM AAYXX ABBRH ABDBE ABFSG ACSTC AEZWR AFDZB AFHIU AFOHR AHPBZ AHWEU AIXLP AMVHM ATHPR AYFIA CITATION ABFGW ACIPQ ACWMK AESTI AEVTX AIMYW AKQUC OTOTI RIG UNUBA |
| ID | FETCH-LOGICAL-c318t-56c848c8dcb5f73c0747c2b5c0f0721a59d7320a50d8adda27d5c0756fb1bba63 |
| IEDL.DBID | U2A |
| ISSN | 1573-0530 |
| IngestDate | Mon Aug 12 05:47:14 EDT 2024 Tue Jul 01 03:39:21 EDT 2025 Thu Apr 24 23:10:35 EDT 2025 Fri Feb 21 02:45:58 EST 2025 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 2 |
| Keywords | Density functional theory 81 Semiclassical physics Electronic structure theory Quantum chemistry Quantum physics |
| Language | English |
| LinkModel | DirectLink |
| MergedId | FETCHMERGED-LOGICAL-c318t-56c848c8dcb5f73c0747c2b5c0f0721a59d7320a50d8adda27d5c0756fb1bba63 |
| Notes | FG02-08ER46496; SC0008696 USDOE Office of Science (SC) |
| ORCID | 0000-0002-4563-2349 0000000245632349 |
| ParticipantIDs | osti_scitechconnect_2419270 crossref_primary_10_1007_s11005_023_01665_z crossref_citationtrail_10_1007_s11005_023_01665_z springer_journals_10_1007_s11005_023_01665_z |
| ProviderPackageCode | CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | 2023-04-09 |
| PublicationDateYYYYMMDD | 2023-04-09 |
| PublicationDate_xml | – month: 04 year: 2023 text: 2023-04-09 day: 09 |
| PublicationDecade | 2020 |
| PublicationPlace | Dordrecht |
| PublicationPlace_xml | – name: Dordrecht – name: United States |
| PublicationTitle | Letters in mathematical physics |
| PublicationTitleAbbrev | Lett Math Phys |
| PublicationYear | 2023 |
| Publisher | Springer Netherlands Springer |
| Publisher_xml | – name: Springer Netherlands – name: Springer |
| References | Schuch, Verstraete (CR69) 2009; 5 Gontier, Hainzl, Lewin (CR106) 2019; 99 Perdew, Zunger (CR42) 1981; 23 Hood, Chou, Williamson, Rajagopal, Needs (CR145) 1998; 57 CR35 CR34 Gunnarsson, Lundqvist (CR54) 1976; 13 Nørskov, Abild-Pedersen, Studt, Bligaard (CR3) 2011; 108 CR33 CR159 CR32 CR158 Fefferman, Seco (CR105) 1994; 107 Assaraf, Azaria, Caffarel, Lecheminant (CR60) 1999; 60 Frydel, Terilla, Burke (CR118) 2000; 112 Teller (CR160) 1962; 34 Fuchs, Niquet, Gonze, Burke (CR73) 2005; 122 Gill, Johnson, Pople, Frisch (CR123) 1992; 44 Carrascal, Ferrer, Maitra, Burke (CR66) 2018; 91 Levy, Perdew (CR84) 1993; 48 Perdew, Ziesche, Eschrig (CR44) 1991 Deur, Mazouin, Fromager (CR65) 2017; 95 Fahy, Wang, Louie (CR144) 1990; 65 Friesecke, Goddard (CR114) 2010; 81 Curtiss, Raghavachari, Redfern, Pople (CR143) 1997; 106 CR173 Song, Vuckovic, Sim, Burke (CR124) 2022; 18 CR171 Kin-Lic Chan, Handy (CR85) 1999; 59 Jumper, Evans, Pritzel, Green, Figurnov, Ronneberger, Tunyasuvunakool, Bates, Žídek, Potapenko, Bridgland, Meyer, Kohl, Ballard, Cowie, Romera-Paredes, Nikolov, Jain, Adler, Back, Petersen, Reiman, Clancy, Zielinski, Steinegger, Pacholska, Berghammer, Bodenstein, Silver, Vinyals, Senior, Kavukcuoglu, Kohli, Hassabis (CR8) 2021; 596 Cerezo, Arrasmith, Babbush, Benjamin, Endo, Fujii, McClean, Mitarai, Yuan, Cincio, Coles (CR16) 2021; 3 CR48 CR47 Delle Site, Ghiringhelli, Ceperley (CR151) 2013; 113 CR170 Arovas, Berg, Kivelson, Raghu (CR57) 2022; 13 Delle Site (CR150) 2015; 619 CR41 CR169 CR166 Frank, Merz, Siedentop (CR93) 2023; 113 Lieb, Simon (CR103) 1977; 23 CR165 Zhong, Wang, Deng, Chen, Peng, Luo, Qin, Wu, Ding, Hu, Hu, Yang, Zhang, Li, Li, Jiang, Gan, Yang, You, Wang, Li, Liu, Lu, Pan (CR15) 2020; 370 Okun, Burke (CR174) 2021; 121 Schwinger (CR96) 1981; 24 Wagner, Stoudenmire, Burke, White (CR39) 2013; 111 Zumbach, Maschke (CR138) 1983; 28 Pribram-Jones, Gross, Burke (CR6) 2015; 66 Kohno (CR61) 2012; 108 Frank, Hundertmark, Jex, Nam (CR23) 2021; 23 D’Amico, Coe, Franca, Capelle (CR153) 2011; 106 CR59 Vuckovic, Song, Kozlowski, Sim, Burke (CR136) 2019; 15 Levy, Perdew, Sahni (CR155) 1984; 30 Englert, Schwinger (CR98) 1984; 29 Umrigar, Nightingale (CR28) 1999 Kunz, Rueedi (CR101) 2010; 81 Cohen, Mori-Sánchez (CR152) 2016; 93 Jain, Shin, Persson (CR1) 2016; 1 Levy (CR30) 1979; 76 Weizsäcker (CR51) 1935; 96 Merz, Siedentop (CR109) 2019; 83 Fuks, Farzanehpour, Tokatly, Appel, Kurth, Rubio (CR62) 2013; 88 Peach, Teale, Tozer (CR77) 2007; 126 Ruzsinszky, Perdew (CR20) 2011; 963 Berry, Burke (CR164) 2020; 53 Kotochigova, Levine, Shirley, Stiles, Clark (CR141) 1997; 55 Lieb (CR111) 1981; 53 Carrascal, Ferrer, Smith, Burke (CR64) 2015; 27 Seidl, Vuckovic, Gori-Giorgi (CR90) 2016; 114 Englert, Schwinger (CR97) 1982; 26 CR67 Lieb, Oxford (CR80) 1981; 19 Lewin, Lieb, Seiringer (CR86) 2019; 100 Shi, Chávez, Wasserman (CR129) 2022; 12 Sharp, D’Amico (CR154) 2016; 94 Kaplan, Shahi, Bhetwal, Sah, Perdew (CR135) 2023; 19 CR147 Mott (CR58) 1961; 6 Schwinger (CR95) 1980; 22 Kato (CR26) 1951; 70 Hubbard, Flowers (CR55) 1963; 276 Constantin, Snyder, Perdew, Burke (CR115) 2010; 133 Crisostomo, Levy, Burke (CR122) 2022; 157 Bach, Lieb, Loss, Solovej (CR119) 1994; 72 Harriman (CR137) 1981; 24 Lieb, Simon (CR50) 1973; 31 Fuks, Maitra (CR63) 2014; 16 Garrigue (CR127) 2021; 386 Weyl (CR168) 1911; 1911 Langreth, Perdew (CR53) 1975; 17 Wasserman, Nafziger, Jiang, Kim, Sim, Burke (CR133) 2017; 68 Penz, van Leeuwen (CR70) 2021; 155 Lehtola, Steigemann, Oliveira, Marques (CR130) 2018; 7 Painter, Averill (CR142) 1982; 26 Foulkes, Mitas, Needs, Rajagopal (CR29) 2001; 73 CR116 Arute, Arya, Babbush, Bacon, Bardin, Barends, Biswas, Boixo, Brandao, Buell, Burkett, Chen, Chen, Chiaro, Collins, Courtney, Dunsworth, Farhi, Foxen, Fowler, Gidney, Giustina, Graff, Guerin, Habegger, Harrigan, Hartmann, Ho, Hoffmann, Huang, Humble, Isakov, Jeffrey, Jiang, Kafri, Kechedzhi, Kelly, Klimov, Knysh, Korotkov, Kostritsa, Landhuis, Lindmark, Lucero, Lyakh, Mandrà, McClean, McEwen, Megrant, Mi, Michielsen, Mohseni, Mutus, Naaman, Neeley, Neill, Niu, Ostby, Petukhov, Platt, Quintana, Rieffel, Roushan, Rubin, Sank, Satzinger, Smelyanskiy, Sung, Trevithick, Vainsencher, Villalonga, White, Yao, Yeh, Zalcman, Neven, Martinis (CR14) 2019; 574 Bhaduri, Brack (CR167) 2003 CR112 Thomas (CR36) 1927; 23 March, Plaskett, Coulson (CR163) 1956; 235 Vosko, Wilk, Nusair (CR43) 1980; 58 Lacombe, Maitra (CR156) 2020; 124 Mardirossian, Head-Gordon (CR45) 2017; 115 Kaplan, Levy, Perdew (CR49) 2023; 74 Fermi (CR37) 1927; 6 Sim, Song, Vuckovic, Burke (CR134) 2022; 144 Dirac (CR83) 1930; 26 Jones, Gunnarsson (CR140) 1989; 61 Perdew, Burke, Ernzerhof (CR79) 1996; 77 Sun, Ruzsinszky, Perdew (CR18) 2015; 115 Wagner, Baker, Stoudenmire, Burke, White (CR148) 2014; 90 CR89 CR87 Kim, Sim, Burke (CR132) 2013; 111 Aimi, Imada (CR56) 2007; 76 Heilmann, Lieb (CR107) 1995; 52 CR120 CR121 Scheffler, Aeschlimann, Albrecht, Bereau, Bungartz, Felser, Greiner, Groß, Koch, Kremer, Nagel, Scheidgen, Wöll, Draxl (CR10) 2022; 604 Medvedev, Bushmarinov, Sun, Perdew, Lyssenko (CR131) 2017; 355 Zeng, Jacobsen, Sasselov, Petaev, Vanderburg, Lopez-Morales, Perez-Mercader, Mattsson, Li, Heising, Bonomo, Damasso, Berger, Cao, Levi, Wordsworth (CR4) 2019; 116 Perdew, Ernzerhof, Burke (CR71) 1996; 105 Hendon, Colonna-Dashwood, Colonna-Dashwood (CR5) 2014; 62 Englert, Schwinger (CR100) 1984; 29 Englert, Schwinger (CR102) 1985; 32 Puzder, Chou, Hood (CR74) 2001; 64 CR19 Teale, Coriani, Helgaker (CR76) 2010; 132 Ernzerhof, Burke, Perdew (CR75) 1996; 4 Bokanowski, Grebert (CR139) 1996; 06 CR13 CR12 CR11 Levy, Perdew (CR72) 1985; 32 Cancio, Chen, Krull, Burke (CR117) 2018; 149 Frydel, Terilla, Burke (CR78) 2000; 112 Mardirossian, Head-Gordon (CR46) 2016; 12 CR94 CR175 Conlon (CR104) 1983; 88 Friesecke, Goddard (CR113) 2009; 41 Hohenberg, Kohn (CR31) 1964; 136 Bloch (CR82) 1929; 57 Perdew, Constantin, Sagvolden, Burke (CR92) 2006; 97 Landry, Wasserman, Heller (CR162) 2009; 103 Frank (CR172) 2014; 4 Requist, Gross (CR157) 2021; 127 Perdew, Ruzsinszky, Sun, Burke (CR81) 2014; 140 Madsen, Laudenbach, Askarani, Rortais, Vincent, Bulmer, Miatto, Neuhaus, Helt, Collins, Lita, Gerrits, Nam, Vaidya, Menotti, Dhand, Vernon, Quesada, Lavoie (CR17) 2022; 606 Burke, Cancio, Gould, Pittalis (CR91) 2016; 145 Pickard, Errea, Eremets (CR2) 2020; 11 Colonna, Savin (CR146) 1999; 110 Daas, Kooi, Grooteman, Seidl, Gori-Giorgi (CR110) 2022; 18 Harris, Jones (CR52) 1974; 4 Argaman, Redd, Cancio, Burke (CR108) 2022; 129 Lieb (CR88) 1983; 24 Silver, Huang, Maddison, Guez, Sifre, van den Driessche, Schrittwieser, Antonoglou, Panneershelvam, Lanctot, Dieleman, Grewe, Nham, Kalchbrenner, Sutskever, Lillicrap, Leach, Kavukcuoglu, Graepel, Hassabis (CR7) 2016; 529 Nam, McCarty, Park, Sim (CR125) 2021; 154 CR27 CR25 CR24 Nam, Song, Sim, Burke (CR126) 2020; 16 Garrigue (CR128) 2022; 245 CR22 CR21 Brack, Bhaduri (CR161) 2003; 96 Lovelock, Crawshaw, Basler, Levy, Baker, Hilvert, Green (CR9) 2022; 606 Perdew, Schmidt (CR40) 2001; 577 Englert, Schwinger (CR99) 1984; 29 Savin, Colonna, Pollet (CR149) 2003; 93 Kohn, Sham (CR38) 1965; 140 Pemmaraju, Deshmukh (CR68) 2022; 106 H-S Zhong (1665_CR15) 2020; 370 LS Madsen (1665_CR17) 2022; 606 S Nam (1665_CR126) 2020; 16 AJ Cohen (1665_CR152) 2016; 93 J Sun (1665_CR18) 2015; 115 LO Wagner (1665_CR39) 2013; 111 JK Nørskov (1665_CR3) 2011; 108 B-G Englert (1665_CR102) 1985; 32 DC Langreth (1665_CR53) 1975; 17 A Pribram-Jones (1665_CR6) 2015; 66 G Friesecke (1665_CR114) 2010; 81 R Requist (1665_CR157) 2021; 127 M Kohno (1665_CR61) 2012; 108 JI Fuks (1665_CR62) 2013; 88 F Bloch (1665_CR82) 1929; 57 M Levy (1665_CR84) 1993; 48 1665_CR169 J Jumper (1665_CR8) 2021; 596 1665_CR41 M Cerezo (1665_CR16) 2021; 3 L Garrigue (1665_CR127) 2021; 386 D Frydel (1665_CR78) 2000; 112 1665_CR47 K Merz (1665_CR109) 2019; 83 1665_CR48 N Schuch (1665_CR69) 2009; 5 B-G Englert (1665_CR97) 1982; 26 1665_CR165 1665_CR166 M Levy (1665_CR155) 1984; 30 LA Constantin (1665_CR115) 2010; 133 RQ Hood (1665_CR145) 1998; 57 J Schwinger (1665_CR96) 1981; 24 RL Frank (1665_CR172) 2014; 4 M Berry (1665_CR164) 2020; 53 AD Kaplan (1665_CR135) 2023; 19 A Savin (1665_CR149) 2003; 93 CH Hendon (1665_CR5) 2014; 62 EH Lieb (1665_CR50) 1973; 31 S Nam (1665_CR125) 2021; 154 RK Bhaduri (1665_CR167) 2003 D Gontier (1665_CR106) 2019; 99 MG Medvedev (1665_CR131) 2017; 355 E Fermi (1665_CR37) 1927; 6 M Seidl (1665_CR90) 2016; 114 1665_CR35 1665_CR173 1665_CR170 DJ Carrascal (1665_CR64) 2015; 27 Y Shi (1665_CR129) 2022; 12 1665_CR171 1665_CR32 1665_CR33 1665_CR34 T Aimi (1665_CR56) 2007; 76 JP Perdew (1665_CR81) 2014; 140 1665_CR175 J Conlon (1665_CR104) 1983; 88 M Lewin (1665_CR86) 2019; 100 N Argaman (1665_CR108) 2022; 129 P Okun (1665_CR174) 2021; 121 L Lacombe (1665_CR156) 2020; 124 L Garrigue (1665_CR128) 2022; 245 T Kato (1665_CR26) 1951; 70 GS Painter (1665_CR142) 1982; 26 S Fahy (1665_CR144) 1990; 65 JP Perdew (1665_CR42) 1981; 23 1665_CR24 SH Vosko (1665_CR43) 1980; 58 1665_CR25 M Ernzerhof (1665_CR75) 1996; 4 C Fefferman (1665_CR105) 1994; 107 1665_CR27 JP Perdew (1665_CR40) 2001; 577 K Burke (1665_CR91) 2016; 145 JP Perdew (1665_CR92) 2006; 97 F Colonna (1665_CR146) 1999; 110 1665_CR21 A Puzder (1665_CR74) 2001; 64 1665_CR22 MJG Peach (1665_CR77) 2007; 126 B-G Englert (1665_CR99) 1984; 29 1665_CR19 DP Arovas (1665_CR57) 2022; 13 E Teller (1665_CR160) 1962; 34 J Schwinger (1665_CR95) 1980; 22 BR Landry (1665_CR162) 2009; 103 1665_CR94 1665_CR112 O Bokanowski (1665_CR139) 1996; 06 F Arute (1665_CR14) 2019; 574 1665_CR116 1665_CR13 H Kunz (1665_CR101) 2010; 81 L Delle Site (1665_CR151) 2013; 113 M Scheffler (1665_CR10) 2022; 604 J Hubbard (1665_CR55) 1963; 276 A Cancio (1665_CR117) 2018; 149 SL Lovelock (1665_CR9) 2022; 606 1665_CR11 1665_CR12 RO Jones (1665_CR140) 1989; 61 P Hohenberg (1665_CR31) 1964; 136 M Levy (1665_CR72) 1985; 32 M Penz (1665_CR70) 2021; 155 O Gunnarsson (1665_CR54) 1976; 13 W Kohn (1665_CR38) 1965; 140 S Lehtola (1665_CR130) 2018; 7 J Harris (1665_CR52) 1974; 4 A Jain (1665_CR1) 2016; 1 OJ Heilmann (1665_CR107) 1995; 52 V Bach (1665_CR119) 1994; 72 S Song (1665_CR124) 2022; 18 PAM Dirac (1665_CR83) 1930; 26 NH March (1665_CR163) 1956; 235 JP Perdew (1665_CR71) 1996; 105 1665_CR121 1665_CR87 JP Perdew (1665_CR79) 1996; 77 1665_CR89 1665_CR120 E Sim (1665_CR134) 2022; 144 M Fuchs (1665_CR73) 2005; 122 D Silver (1665_CR7) 2016; 529 JE Harriman (1665_CR137) 1981; 24 M Brack (1665_CR161) 2003; 96 AD Kaplan (1665_CR49) 2023; 74 CFV Weizsäcker (1665_CR51) 1935; 96 TJ Daas (1665_CR110) 2022; 18 CJ Umrigar (1665_CR28) 1999 CD Pemmaraju (1665_CR68) 2022; 106 M Levy (1665_CR30) 1979; 76 EH Lieb (1665_CR88) 1983; 24 LO Wagner (1665_CR148) 2014; 90 LH Thomas (1665_CR36) 1927; 23 L Zeng (1665_CR4) 2019; 116 A Wasserman (1665_CR133) 2017; 68 H Weyl (1665_CR168) 1911; 1911 M-C Kim (1665_CR132) 2013; 111 B-G Englert (1665_CR100) 1984; 29 B-G Englert (1665_CR98) 1984; 29 PM Sharp (1665_CR154) 2016; 94 A Ruzsinszky (1665_CR20) 2011; 963 WMC Foulkes (1665_CR29) 2001; 73 RL Frank (1665_CR93) 2023; 113 G Zumbach (1665_CR138) 1983; 28 CJ Pickard (1665_CR2) 2020; 11 JP Perdew (1665_CR44) 1991 1665_CR147 S Crisostomo (1665_CR122) 2022; 157 L Delle Site (1665_CR150) 2015; 619 S Kotochigova (1665_CR141) 1997; 55 EH Lieb (1665_CR103) 1977; 23 G Friesecke (1665_CR113) 2009; 41 PMW Gill (1665_CR123) 1992; 44 NF Mott (1665_CR58) 1961; 6 D Frydel (1665_CR118) 2000; 112 EH Lieb (1665_CR80) 1981; 19 G Kin-Lic Chan (1665_CR85) 1999; 59 1665_CR67 DJ Carrascal (1665_CR66) 2018; 91 S Vuckovic (1665_CR136) 2019; 15 N Mardirossian (1665_CR45) 2017; 115 JI Fuks (1665_CR63) 2014; 16 1665_CR158 1665_CR159 R Frank (1665_CR23) 2021; 23 K Deur (1665_CR65) 2017; 95 AM Teale (1665_CR76) 2010; 132 R Assaraf (1665_CR60) 1999; 60 LA Curtiss (1665_CR143) 1997; 106 I D’Amico (1665_CR153) 2011; 106 1665_CR59 EH Lieb (1665_CR111) 1981; 53 N Mardirossian (1665_CR46) 2016; 12 |
| References_xml | – volume: 17 start-page: 1425 issue: 11 year: 1975 end-page: 1429 ident: CR53 article-title: The exchange-correlation energy of a metallic surface publication-title: Solid State Commun. doi: 10.1016/0038-1098(75)90618-3 – ident: CR22 – volume: 15 start-page: 6636 issue: 12 year: 2019 end-page: 6646 ident: CR136 article-title: Density functional analysis: the theory of density-corrected DFT publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.9b00826 – ident: CR173 – volume: 577 start-page: 1 issue: 1 year: 2001 end-page: 20 ident: CR40 article-title: Jacob’s ladder of density functional approximations for the exchange-correlation energy publication-title: AIP Conf. Proc. doi: 10.1063/1.1390175 – volume: 65 start-page: 1478 year: 1990 end-page: 1481 ident: CR144 article-title: Pair-correlation function and single-particle occupation numbers in diamond and silicon publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.65.1478 – volume: 235 start-page: 419 issue: 1202 year: 1956 end-page: 431 ident: CR163 article-title: The relation between the Wentzel–Kramers–Brillouin and the Thomas–Fermi approximations publication-title: Proc. R. Soc. Lond. Ser. A Math. Phys. Sci. doi: 10.1098/rspa.1956.0094 – ident: CR158 – volume: 76 start-page: 113708 issue: 11 year: 2007 ident: CR56 article-title: Does simple two-dimensional Hubbard model account for high-tc superconductivity in copper oxides? publication-title: J. Phys. Soc. Jpn. doi: 10.1143/JPSJ.76.113708 – volume: 58 start-page: 1200 issue: 8 year: 1980 end-page: 1211 ident: CR43 article-title: Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis publication-title: Can. J. Phys. doi: 10.1139/p80-159 – volume: 32 start-page: 2010 year: 1985 end-page: 2021 ident: CR72 article-title: Hellmann–Feynman, virial, and scaling requisites for the exact universal density functionals. shape of the correlation potential and diamagnetic susceptibility for atoms publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.32.2010 – volume: 29 start-page: 2331 year: 1984 end-page: 2338 ident: CR100 article-title: Statistical atom: handling the strongly bound electrons publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2331 – volume: 74 start-page: 66 issue: 1 year: 2023 ident: CR49 article-title: The predictive power of exact constraints and appropriate norms in density functional theory publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-062422-013259 – ident: CR25 – ident: CR121 – volume: 23 start-page: 2583 issue: 8 year: 2021 end-page: 2600 ident: CR23 article-title: The Lieb–Thirring inequality revisited publication-title: J. Eur. Math. Soc. doi: 10.4171/JEMS/1062 – volume: 81 start-page: 032122 year: 2010 ident: CR101 article-title: Atoms and quantum dots with a large number of electrons: the ground-state energy publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.81.032122 – volume: 34 start-page: 627 year: 1962 end-page: 631 ident: CR160 article-title: On the stability of molecules in the Thomas–Fermi theory publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.34.627 – volume: 115 start-page: 036402 issue: 3 year: 2015 ident: CR18 article-title: Strongly constrained and appropriately normed semilocal density functional publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.115.036402 – volume: 6 start-page: 66 year: 1927 ident: CR37 article-title: Un Metodo Statistico per la Determinazione di alcune Prioprietà dell’Atomo publication-title: Rend. Acc. Naz. Lincei – volume: 103 start-page: 066401 year: 2009 ident: CR162 article-title: Semiclassical ground-state energies of many-electron systems publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.103.066401 – ident: CR19 – volume: 27 start-page: 393001 issue: 39 year: 2015 ident: CR64 article-title: The Hubbard dimer: a density functional case study of a many-body problem publication-title: J. Phys. Condens. Matter doi: 10.1088/0953-8984/27/39/393001 – volume: 121 start-page: 26554 issue: 7 year: 2021 ident: CR174 article-title: Uncommonly accurate energies for the general quartic oscillator publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.26554 – volume: 70 start-page: 195 issue: 2 year: 1951 end-page: 211 ident: CR26 article-title: Fundamental properties of Hamiltonian operators of Schrodinger type publication-title: Trans. Am. Math. Soc. – volume: 23 start-page: 22 issue: 1 year: 1977 end-page: 116 ident: CR103 article-title: The Thomas–Fermi theory of atoms, molecules and solids publication-title: Adv. Math. doi: 10.1016/0001-8708(77)90108-6 – volume: 106 start-page: 050401 year: 2011 ident: CR153 article-title: Quantum mechanics in metric space: wave functions and their densities publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.106.050401 – volume: 28 start-page: 544 year: 1983 end-page: 554 ident: CR138 article-title: New approach to the calculation of density functionals publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.28.544 – volume: 113 start-page: 11 issue: 1 year: 2023 ident: CR93 article-title: The Scott conjecture for large coulomb systems: a review publication-title: Lett. Math. Phys. doi: 10.1007/s11005-023-01631-9 – volume: 113 start-page: 155 issue: 2 year: 2013 end-page: 160 ident: CR151 article-title: Electronic energy functionals: Levy–Lieb principle within the ground state path integral quantum Monte Carlo publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.24321 – volume: 5 start-page: 732 issue: 10 year: 2009 end-page: 735 ident: CR69 article-title: Computational complexity of interacting electrons and fundamental limitations of density functional theory publication-title: Nat. Phys. doi: 10.1038/nphys1370 – ident: CR170 – ident: CR11 – volume: 53 start-page: 095203 issue: 9 year: 2020 ident: CR164 article-title: Exact and approximate energy sums in potential wells publication-title: J. Phys. A Math. Theor. doi: 10.1088/1751-8121/ab69a6 – volume: 88 start-page: 133 issue: 1 year: 1983 end-page: 150 ident: CR104 article-title: Semi-classical limit theorems for Hartree–Fock theory publication-title: Commun. Math. Phys. doi: 10.1007/BF01206884 – volume: 606 start-page: 75 issue: 7912 year: 2022 end-page: 81 ident: CR17 article-title: Quantum computational advantage with a programmable photonic processor publication-title: Nature doi: 10.1038/s41586-022-04725-x – volume: 114 start-page: 1076 issue: 7–8 year: 2016 end-page: 1085 ident: CR90 article-title: Challenging the Lieb–Oxford bound in a systematic way publication-title: Mol. Phys. doi: 10.1080/00268976.2015.1136440 – ident: CR112 – volume: 31 start-page: 681 year: 1973 end-page: 683 ident: CR50 article-title: Thomas–Fermi theory revisited publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.31.681 – volume: 52 start-page: 3628 year: 1995 end-page: 3643 ident: CR107 article-title: Electron density near the nucleus of a large atom publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.52.3628 – volume: 157 start-page: 154106 issue: 15 year: 2022 ident: CR122 article-title: Can the Hartree–Fock kinetic energy exceed the exact kinetic energy? publication-title: J. Chem. Phys. doi: 10.1063/5.0105684 – ident: CR147 – volume: 140 start-page: 1133 year: 1965 end-page: 1138 ident: CR38 article-title: Self-consistent equations including exchange and correlation effects publication-title: Phys. Rev. doi: 10.1103/PhysRev.140.A1133 – volume: 22 start-page: 1827 year: 1980 end-page: 1832 ident: CR95 article-title: Thomas–Fermi model: the leading correction publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.22.1827 – ident: CR47 – volume: 68 start-page: 555 issue: 1 year: 2017 end-page: 581 ident: CR133 article-title: The importance of being inconsistent publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-052516-044957 – volume: 96 start-page: 431 issue: 7 year: 1935 end-page: 458 ident: CR51 article-title: Zur theorie der kernmassen publication-title: Zeitschrift für Physik doi: 10.1007/BF01337700 – volume: 100 start-page: 035127 year: 2019 ident: CR86 article-title: Floating Wigner crystal with no boundary charge fluctuations publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.100.035127 – volume: 122 start-page: 094116 issue: 9 year: 2005 ident: CR73 article-title: Describing static correlation in bond dissociation by Kohn–Sham density functional theory publication-title: J. Chem. Phys. doi: 10.1063/1.1858371 – ident: CR89 – volume: 57 start-page: 8972 year: 1998 end-page: 8982 ident: CR145 article-title: Exchange and correlation in silicon publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.57.8972 – ident: CR171 – volume: 13 start-page: 239 issue: 1 year: 2022 end-page: 274 ident: CR57 article-title: The Hubbard model publication-title: Annu. Rev. Condens. Matter Phys. doi: 10.1146/annurev-conmatphys-031620-102024 – volume: 108 start-page: 076401 year: 2012 ident: CR61 article-title: Mott transition in the two-dimensional Hubbard model publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.108.076401 – volume: 24 start-page: 2353 year: 1981 end-page: 2361 ident: CR96 article-title: Thomas–Fermi model: the second correction publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.24.2353 – volume: 95 start-page: 035120 year: 2017 ident: CR65 article-title: Exact ensemble density functional theory for excited states in a model system: investigating the weight dependence of the correlation energy publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.95.035120 – ident: CR33 – volume: 3 start-page: 625 issue: 9 year: 2021 end-page: 644 ident: CR16 article-title: Variational quantum algorithms publication-title: Nat. Rev. Phys. doi: 10.1038/s42254-021-00348-9 – volume: 99 start-page: 052501 year: 2019 ident: CR106 article-title: Lower bound on the Hartree–Fock energy of the electron gas publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.99.052501 – volume: 93 start-page: 042511 year: 2016 ident: CR152 article-title: Landscape of an exact energy functional publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.93.042511 – ident: CR27 – ident: CR165 – volume: 24 start-page: 680 year: 1981 end-page: 682 ident: CR137 article-title: Orthonormal orbitals for the representation of an arbitrary density publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.24.680 – volume: 619 start-page: 148 year: 2015 end-page: 151 ident: CR150 article-title: Levy–Lieb principle: the bridge between the electron density of density functional theory and the wavefunction of quantum Monte Carlo publication-title: Chem. Phys. Lett. doi: 10.1016/j.cplett.2014.11.060 – ident: CR94 – volume: 112 start-page: 5292 issue: 12 year: 2000 end-page: 5297 ident: CR118 article-title: Adiabatic connection from accurate wave-function calculations publication-title: J. Chem. Phys. doi: 10.1063/1.481099 – volume: 23 start-page: 542 issue: 05 year: 1927 end-page: 548 ident: CR36 article-title: The calculation of atomic fields publication-title: Math. Proc. Camb. Philos. Soc. doi: 10.1017/S0305004100011683 – start-page: 11 year: 1991 end-page: 20 ident: CR44 article-title: Unified theory of exchange and correlation beyond the local density approximation publication-title: Electronic Structure of Solids ’91 – volume: 4 start-page: 1170 issue: 8 year: 1974 end-page: 1186 ident: CR52 article-title: The surface energy of a bounded electron gas publication-title: J. Phys. F Met. Phys. doi: 10.1088/0305-4608/4/8/013 – volume: 1911 start-page: 110 year: 1911 end-page: 117 ident: CR168 article-title: Über die asymptotische verteilung der eigenwerte publication-title: Nachrichten von der Gesellschaft der Wissenschaften zu Göttingen, Mathematisch-Physikalische Klasse – volume: 13 start-page: 4274 year: 1976 end-page: 4298 ident: CR54 article-title: Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.13.4274 – volume: 53 start-page: 603 year: 1981 end-page: 641 ident: CR111 article-title: Thomas–Fermi and related theories of atoms and molecules publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.53.603 – volume: 115 start-page: 2315 issue: 19 year: 2017 end-page: 2372 ident: CR45 article-title: Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals publication-title: Mol. Phys.. doi: 10.1080/00268976.2017.1333644 – volume: 12 start-page: 4303 issue: 9 year: 2016 end-page: 4325 ident: CR46 article-title: How accurate are the Minnesota density functionals for noncovalent interactions, isomerization energies, thermochemistry, and barrier heights involving molecules composed of main-group elements? publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.6b00637 – volume: 88 start-page: 062512 year: 2013 ident: CR62 article-title: Time-dependent exchange-correlation functional for a Hubbard dimer: quantifying nonadiabatic effects publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.88.062512 – volume: 90 start-page: 045109 year: 2014 ident: CR148 article-title: Kohn–Sham calculations with the exact functional publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.90.045109 – ident: CR13 – volume: 11 start-page: 57 issue: 1 year: 2020 end-page: 76 ident: CR2 article-title: Superconducting hydrides under pressure publication-title: Annu. Rev. Condens. Matter Phys. doi: 10.1146/annurev-conmatphys-031218-013413 – volume: 72 start-page: 2981 year: 1994 end-page: 2983 ident: CR119 article-title: There are no unfilled shells in unrestricted Hartree–Fock theory publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.72.2981 – volume: 149 start-page: 084116 issue: 8 year: 2018 ident: CR117 article-title: Fitting a round peg into a round hole: asymptotically correcting the generalized gradient approximation for correlation publication-title: J. Chem. Phys. doi: 10.1063/1.5021597 – ident: CR159 – volume: 108 start-page: 937 issue: 3 year: 2011 end-page: 943 ident: CR3 article-title: Density functional theory in surface chemistry and catalysis publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.1006652108 – volume: 574 start-page: 505 issue: 7779 year: 2019 end-page: 510 ident: CR14 article-title: Quantum supremacy using a programmable superconducting processor publication-title: Nature doi: 10.1038/s41586-019-1666-5 – volume: 06 start-page: 437 issue: 04 year: 1996 end-page: 466 ident: CR139 article-title: A decomposition theorem for wave functions in molecular quantum chemistry publication-title: Math. Models Methods Appl. Sci. doi: 10.1142/S021820259600016X – volume: 26 start-page: 1781 year: 1982 end-page: 1790 ident: CR142 article-title: Bonding in the first-row diatomic molecules within the local spin-density approximation publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.26.1781 – ident: CR41 – volume: 154 start-page: 124122 issue: 12 year: 2021 ident: CR125 article-title: Ks-pies: Kohn–Sham inversion toolkit publication-title: J. Chem. Phys. doi: 10.1063/5.0040941 – ident: CR120 – ident: CR24 – volume: 83 start-page: 387 issue: 3 year: 2019 end-page: 391 ident: CR109 article-title: The atomic density on the Thomas—fermi length scale for the Chandrasekhar Hamiltonian publication-title: Rep. Math. Phys. doi: 10.1016/s0034-4877(19)30057-6 – volume: 127 start-page: 116401 year: 2021 ident: CR157 article-title: Fock-space embedding theory: application to strongly correlated topological phases publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.127.116401 – volume: 111 start-page: 093003 year: 2013 ident: CR39 article-title: Guaranteed convergence of the Kohn–Sham equations publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.111.093003 – volume: 124 start-page: 206401 year: 2020 ident: CR156 article-title: Embedding via the exact factorization approach publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.124.206401 – volume: 29 start-page: 2353 year: 1984 end-page: 2363 ident: CR99 article-title: New statistical atom: a numerical study publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2353 – volume: 106 start-page: 042807 year: 2022 ident: CR68 article-title: Levy–Lieb embedding of density-functional theory and its quantum kernel: Illustration for the Hubbard dimer using near-term quantum algorithms publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.106.042807 – ident: CR87 – volume: 110 start-page: 2828 issue: 6 year: 1999 end-page: 2835 ident: CR146 article-title: Correlation energies for some two- and four-electron systems along the adiabatic connection in density functional theory publication-title: J. Chem. Phys. doi: 10.1063/1.478234 – volume: 529 start-page: 484 issue: 7587 year: 2016 end-page: 489 ident: CR7 article-title: Mastering the game of Go with deep neural networks and tree search publication-title: Nature doi: 10.1038/nature16961 – ident: CR12 – volume: 4 start-page: 207 year: 1996 end-page: 238 ident: CR75 article-title: Density functional theory, the exchange hole, and the molecular bond publication-title: Theor. Comput. Chem. doi: 10.1016/S1380-7323(96)80088-4 – volume: 133 start-page: 241103 issue: 24 year: 2010 ident: CR115 article-title: Communication: ionization potentials in the limit of large atomic number publication-title: J. Chem. Phys. doi: 10.1063/1.3522767 – volume: 94 start-page: 062509 year: 2016 ident: CR154 article-title: Metric-space approach to potentials and its relevance to density-functional theory publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.94.062509 – volume: 129 start-page: 153001 year: 2022 ident: CR108 article-title: Leading correction to the local density approximation for exchange in large- atoms publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.129.153001 – volume: 97 start-page: 223002 year: 2006 ident: CR92 article-title: Relevance of the slowly varying electron gas to atoms, molecules, and solids publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.97.223002 – volume: 386 start-page: 1803 issue: 3 year: 2021 end-page: 1844 ident: CR127 article-title: Some properties of the potential-to-ground state map in quantum mechanics publication-title: Commun. Math. Phys. doi: 10.1007/s00220-021-04140-9 – volume: 4 start-page: 1 issue: 1 year: 2014 end-page: 21 ident: CR172 article-title: Cwikel’s theorem and the clr inequality publication-title: J. Spect. Theory doi: 10.4171/JST/59 – ident: CR35 – volume: 64 start-page: 022501 year: 2001 ident: CR74 article-title: Exchange and correlation in the Si atom: a quantum Monte Carlo study publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.64.022501 – volume: 136 start-page: 864 issue: 3B year: 1964 end-page: 871 ident: CR31 article-title: Inhomogeneous electron gas publication-title: Phys. Rev. doi: 10.1103/PhysRev.136.B864 – volume: 18 start-page: 817 issue: 2 year: 2022 end-page: 827 ident: CR124 article-title: Density-corrected DFT explained: questions and answers publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.1c01045 – volume: 155 start-page: 244111 issue: 24 year: 2021 ident: CR70 article-title: Density-functional theory on graphs publication-title: J. Chem. Phys. doi: 10.1063/5.0074249 – volume: 111 start-page: 073003 year: 2013 ident: CR132 article-title: Understanding and reducing errors in density functional calculations publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.111.073003 – volume: 18 start-page: 1584 issue: 3 year: 2022 end-page: 1594 ident: CR110 article-title: Gradient expansions for the large-coupling strength limit of the Møller–Plesset adiabatic connection publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.1c01206 – volume: 23 start-page: 5048 issue: 10 year: 1981 ident: CR42 article-title: Self-interaction correction to density-functional approximations for many-electron systems publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.23.5048 – volume: 81 start-page: 032516 year: 2010 ident: CR114 article-title: Atomic structure via highly charged ions and their exact quantum states publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.81.032516 – ident: CR21 – volume: 26 start-page: 376 issue: 3 year: 1930 end-page: 385 ident: CR83 article-title: Note on exchange phenomena in the Thomas atom publication-title: Math. Proc. Camb. Philos. Soc. doi: 10.1017/S0305004100016108 – volume: 19 start-page: 532 issue: 2 year: 2023 end-page: 543 ident: CR135 article-title: Understanding density-driven errors for reaction barrier heights publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.2c00953 – volume: 132 start-page: 164115 issue: 16 year: 2010 ident: CR76 article-title: Accurate calculation and modeling of the adiabatic connection in density functional theory publication-title: J. Chem. Phys. doi: 10.1063/1.3380834 – volume: 604 start-page: 635 issue: 7907 year: 2022 end-page: 642 ident: CR10 article-title: FAIR data enabling new horizons for materials research publication-title: Nature doi: 10.1038/s41586-022-04501-x – ident: CR67 – volume: 140 start-page: 18 issue: 18 year: 2014 end-page: 533 ident: CR81 article-title: Gedanken densities and exact constraints in density functional theory publication-title: J. Chem. Phys. doi: 10.1063/1.4870763 – volume: 105 start-page: 9982 issue: 22 year: 1996 end-page: 9985 ident: CR71 article-title: Rationale for mixing exact exchange with density functional approximations publication-title: J. Chem. Phys. doi: 10.1063/1.472933 – volume: 19 start-page: 427 issue: 3 year: 1981 end-page: 439 ident: CR80 article-title: Improved lower bound on the indirect coulomb energy publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560190306 – ident: CR116 – ident: CR32 – volume: 370 start-page: 1460 issue: 6523 year: 2020 end-page: 1463 ident: CR15 article-title: Quantum computational advantage using photons publication-title: Science doi: 10.1126/science.abe8770 – volume: 16 start-page: 5014 issue: 8 year: 2020 end-page: 5023 ident: CR126 article-title: Measuring density-driven errors using Kohn–Sham inversion publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.0c00391 – volume: 16 start-page: 14504 year: 2014 end-page: 14513 ident: CR63 article-title: Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transfer publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/C4CP00118D – volume: 30 start-page: 2745 year: 1984 end-page: 2748 ident: CR155 article-title: Exact differential equation for the density and ionization energy of a many-particle system publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.30.2745 – volume: 48 start-page: 11638 year: 1993 end-page: 11645 ident: CR84 article-title: Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.48.11638 – volume: 29 start-page: 2339 year: 1984 end-page: 2352 ident: CR98 article-title: Statistical atom: some quantum improvements publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2339 – ident: CR175 – volume: 73 start-page: 33 year: 2001 end-page: 83 ident: CR29 article-title: Quantum Monte Carlo simulations of solids publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.73.33 – volume: 59 start-page: 3075 year: 1999 end-page: 3077 ident: CR85 article-title: Optimized Lieb–Oxford bound for the exchange-correlation energy publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.59.3075 – volume: 106 start-page: 1063 issue: 3 year: 1997 end-page: 1079 ident: CR143 article-title: Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation publication-title: J. Chem. Phys. doi: 10.1063/1.473182 – volume: 276 start-page: 238 issue: 1365 year: 1963 end-page: 257 ident: CR55 article-title: Electron correlations in narrow energy bands publication-title: Proc. R. Soc. Lond. Ser. A Math. Phys. Sci. doi: 10.1098/rspa.1963.0204 – volume: 57 start-page: 545 issue: 7 year: 1929 end-page: 555 ident: CR82 article-title: Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitfähigkeit publication-title: Zeitschrift für Physik doi: 10.1007/BF01340281 – volume: 145 start-page: 054112 issue: 5 year: 2016 ident: CR91 article-title: Locality of correlation in density functional theory publication-title: J. Chem. Phys. doi: 10.1063/1.4959126 – volume: 24 start-page: 243 issue: 3 year: 1983 end-page: 277 ident: CR88 article-title: Density functionals for coulomb systems publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560240302 – volume: 62 start-page: 4947 issue: 21 year: 2014 end-page: 4950 ident: CR5 article-title: The role of dissolved cations in coffee extraction publication-title: J. Agric. Food Chem. doi: 10.1021/jf501687c – volume: 245 start-page: 949 issue: 2 year: 2022 end-page: 1003 ident: CR128 article-title: Building Kohn–Sham potentials for ground and excited states publication-title: Arch. Rational Mech. Anal. doi: 10.1007/s00205-022-01804-1 – volume: 596 start-page: 583 issue: 7873 year: 2021 end-page: 589 ident: CR8 article-title: Highly accurate protein structure prediction with AlphaFold publication-title: Nature doi: 10.1038/s41586-021-03819-2 – volume: 963 start-page: 2 issue: 1 year: 2011 end-page: 6 ident: CR20 article-title: Twelve outstanding problems in ground-state density functional theory: a bouquet of puzzles publication-title: Comput. Theor. Chem. doi: 10.1016/j.comptc.2010.09.002 – volume: 55 start-page: 191 year: 1997 end-page: 199 ident: CR141 article-title: Local-density-functional calculations of the energy of atoms publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.55.191 – year: 1999 ident: CR28 publication-title: Quantum Monte Carlo Methods in Physics and Chemistry – volume: 112 start-page: 5292 issue: 12 year: 2000 end-page: 5297 ident: CR78 article-title: Adiabatic connection from accurate wave-function calculations publication-title: J. Chem. Phys. doi: 10.1063/1.481099 – volume: 1 start-page: 15004 issue: 1 year: 2016 ident: CR1 article-title: Computational predictions of energy materials using density functional theory publication-title: Nat. Rev. Mater. doi: 10.1038/natrevmats.2015.4 – volume: 26 start-page: 2322 year: 1982 end-page: 2329 ident: CR97 article-title: Thomas–Fermi revisited: the outer regions of the atom publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.26.2322 – volume: 107 start-page: 1 issue: 1 year: 1994 end-page: 185 ident: CR105 article-title: On the Dirac and Schwinger corrections to the ground-state energy of an atom publication-title: Adv. Math. doi: 10.1006/aima.1994.1060 – volume: 144 start-page: 6625 issue: 15 year: 2022 end-page: 6639 ident: CR134 article-title: Improving results by improving densities: density-corrected density functional theory publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.1c11506 – volume: 91 start-page: 142 issue: 7 year: 2018 ident: CR66 article-title: Linear response time-dependent density functional theory of the Hubbard dimer publication-title: Eur. Phys. J. B doi: 10.1140/epjb/e2018-90114-9 – ident: CR169 – year: 2003 ident: CR167 publication-title: Semiclassical Physics. Frontiers in Physics – volume: 126 start-page: 244104 issue: 24 year: 2007 ident: CR77 article-title: Modeling the adiabatic connection in h publication-title: J. Chem. Phys. doi: 10.1063/1.2747248 – volume: 66 start-page: 283 issue: 1 year: 2015 end-page: 304 ident: CR6 article-title: Dft: a theory full of holes? publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-040214-121420 – volume: 76 start-page: 6062 issue: 12 year: 1979 end-page: 6065 ident: CR30 article-title: Universal variational functionals of electron densities, first-order density matrices, and natural spin–orbitals and solution of the v-representability problem publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.76.12.6062 – volume: 44 start-page: 319 issue: S26 year: 1992 end-page: 331 ident: CR123 article-title: An investigation of the performance of a hybrid of Hartree–Fock and density functional theory publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560440828 – volume: 355 start-page: 49 issue: 6320 year: 2017 end-page: 52 ident: CR131 article-title: Density functional theory is straying from the path toward the exact functional publication-title: Science doi: 10.1126/science.aah5975 – volume: 116 start-page: 9723 issue: 20 year: 2019 end-page: 9728 ident: CR4 article-title: Growth model interpretation of planet size distribution publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.1812905116 – ident: CR48 – volume: 77 start-page: 3865 year: 1996 end-page: 3868 ident: CR79 article-title: Generalized gradient approximation made simple publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.77.3865 – volume: 61 start-page: 689 year: 1989 end-page: 746 ident: CR140 article-title: The density functional formalism, its applications and prospects publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.61.689 – ident: CR34 – volume: 12 start-page: 1617 issue: 6 year: 2022 ident: CR129 article-title: n2v: a density-to-potential inversion suite. a sandbox for creating, testing, and benchmarking density functional theory inversion methods publication-title: WIREs Comput. Mol. Sci. doi: 10.1002/wcms.1617 – volume: 93 start-page: 166 issue: 3 year: 2003 end-page: 190 ident: CR149 article-title: Adiabatic connection approach to density functional theory of electronic systems publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.10551 – volume: 606 start-page: 49 issue: 7912 year: 2022 end-page: 58 ident: CR9 article-title: The road to fully programmable protein catalysis publication-title: Nature doi: 10.1038/s41586-022-04456-z – ident: CR59 – volume: 7 start-page: 1 year: 2018 end-page: 5 ident: CR130 article-title: Recent developments in libxc—a comprehensive library of functionals for density functional theory publication-title: SoftwareX doi: 10.1016/j.softx.2017.11.002 – ident: CR166 – volume: 41 start-page: 631 issue: 2 year: 2009 end-page: 664 ident: CR113 article-title: Explicit large nuclear charge limit of electronic ground states for li, be, b, c, n, o, f, ne and basic aspects of the periodic table publication-title: SIAM J. Math. Anal. doi: 10.1137/080729050 – volume: 96 start-page: 458 year: 2003 ident: CR161 article-title: Semiclassical physics publication-title: Front. Phys. – volume: 6 start-page: 287 issue: 62 year: 1961 end-page: 309 ident: CR58 article-title: The transition to the metallic state publication-title: Philos. Mag. J. Theor. Exp. Appl. Phys. doi: 10.1080/14786436108243318 – volume: 32 start-page: 26 year: 1985 end-page: 35 ident: CR102 article-title: Semiclassical atom publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.32.26 – volume: 60 start-page: 2299 year: 1999 end-page: 2318 ident: CR60 article-title: Metal-insulator transition in the one-dimensional Hubbard model publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.60.2299 – volume: 596 start-page: 583 issue: 7873 year: 2021 ident: 1665_CR8 publication-title: Nature doi: 10.1038/s41586-021-03819-2 – volume: 24 start-page: 243 issue: 3 year: 1983 ident: 1665_CR88 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560240302 – volume: 114 start-page: 1076 issue: 7–8 year: 2016 ident: 1665_CR90 publication-title: Mol. Phys. doi: 10.1080/00268976.2015.1136440 – volume: 26 start-page: 1781 year: 1982 ident: 1665_CR142 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.26.1781 – volume: 23 start-page: 5048 issue: 10 year: 1981 ident: 1665_CR42 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.23.5048 – volume: 96 start-page: 431 issue: 7 year: 1935 ident: 1665_CR51 publication-title: Zeitschrift für Physik doi: 10.1007/BF01337700 – ident: 1665_CR159 doi: 10.1016/bs.aiq.2015.02.004 – volume: 76 start-page: 113708 issue: 11 year: 2007 ident: 1665_CR56 publication-title: J. Phys. Soc. Jpn. doi: 10.1143/JPSJ.76.113708 – volume: 24 start-page: 2353 year: 1981 ident: 1665_CR96 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.24.2353 – ident: 1665_CR59 doi: 10.1142/S0217984992001137 – ident: 1665_CR11 doi: 10.48550/ARXIV.2205.11487 – ident: 1665_CR121 doi: 10.1021/bk-1996-0629.ch003 – volume: 121 start-page: 26554 issue: 7 year: 2021 ident: 1665_CR174 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.26554 – volume: 154 start-page: 124122 issue: 12 year: 2021 ident: 1665_CR125 publication-title: J. Chem. Phys. doi: 10.1063/5.0040941 – volume: 606 start-page: 75 issue: 7912 year: 2022 ident: 1665_CR17 publication-title: Nature doi: 10.1038/s41586-022-04725-x – volume: 6 start-page: 287 issue: 62 year: 1961 ident: 1665_CR58 publication-title: Philos. Mag. J. Theor. Exp. Appl. Phys. doi: 10.1080/14786436108243318 – volume: 76 start-page: 6062 issue: 12 year: 1979 ident: 1665_CR30 publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.76.12.6062 – volume: 55 start-page: 191 year: 1997 ident: 1665_CR141 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.55.191 – volume: 65 start-page: 1478 year: 1990 ident: 1665_CR144 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.65.1478 – ident: 1665_CR47 doi: 10.1007/978-3-642-23518-4_5 – volume: 112 start-page: 5292 issue: 12 year: 2000 ident: 1665_CR118 publication-title: J. Chem. Phys. doi: 10.1063/1.481099 – ident: 1665_CR21 doi: 10.1007/978-3-319-06379-9_23 – ident: 1665_CR34 doi: 10.1016/S0065-3276(03)43002-5 – volume: 24 start-page: 680 year: 1981 ident: 1665_CR137 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.24.680 – volume: 23 start-page: 2583 issue: 8 year: 2021 ident: 1665_CR23 publication-title: J. Eur. Math. Soc. doi: 10.4171/JEMS/1062 – volume: 27 start-page: 393001 issue: 39 year: 2015 ident: 1665_CR64 publication-title: J. Phys. Condens. Matter doi: 10.1088/0953-8984/27/39/393001 – volume: 1 start-page: 15004 issue: 1 year: 2016 ident: 1665_CR1 publication-title: Nat. Rev. Mater. doi: 10.1038/natrevmats.2015.4 – volume: 100 start-page: 035127 year: 2019 ident: 1665_CR86 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.100.035127 – volume: 60 start-page: 2299 year: 1999 ident: 1665_CR60 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.60.2299 – ident: 1665_CR48 doi: 10.4171/90-2/36 – volume: 74 start-page: 66 issue: 1 year: 2023 ident: 1665_CR49 publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-062422-013259 – ident: 1665_CR22 doi: 10.48550/ARXIV.2007.09326 – volume: 7 start-page: 1 year: 2018 ident: 1665_CR130 publication-title: SoftwareX doi: 10.1016/j.softx.2017.11.002 – volume: 112 start-page: 5292 issue: 12 year: 2000 ident: 1665_CR78 publication-title: J. Chem. Phys. doi: 10.1063/1.481099 – volume: 116 start-page: 9723 issue: 20 year: 2019 ident: 1665_CR4 publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.1812905116 – volume: 370 start-page: 1460 issue: 6523 year: 2020 ident: 1665_CR15 publication-title: Science doi: 10.1126/science.abe8770 – ident: 1665_CR112 doi: 10.1007/3-540-19204-2 – volume: 144 start-page: 6625 issue: 15 year: 2022 ident: 1665_CR134 publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.1c11506 – volume: 386 start-page: 1803 issue: 3 year: 2021 ident: 1665_CR127 publication-title: Commun. Math. Phys. doi: 10.1007/s00220-021-04140-9 – ident: 1665_CR171 doi: 10.1007/978-3-030-30557-4 – volume: 111 start-page: 093003 year: 2013 ident: 1665_CR39 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.111.093003 – volume: 108 start-page: 937 issue: 3 year: 2011 ident: 1665_CR3 publication-title: Proc. Natl. Acad. Sci. doi: 10.1073/pnas.1006652108 – volume: 127 start-page: 116401 year: 2021 ident: 1665_CR157 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.127.116401 – volume-title: Semiclassical Physics. Frontiers in Physics year: 2003 ident: 1665_CR167 – volume: 115 start-page: 036402 issue: 3 year: 2015 ident: 1665_CR18 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.115.036402 – ident: 1665_CR25 doi: 10.1142/13303 – volume: 32 start-page: 2010 year: 1985 ident: 1665_CR72 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.32.2010 – volume: 963 start-page: 2 issue: 1 year: 2011 ident: 1665_CR20 publication-title: Comput. Theor. Chem. doi: 10.1016/j.comptc.2010.09.002 – volume: 149 start-page: 084116 issue: 8 year: 2018 ident: 1665_CR117 publication-title: J. Chem. Phys. doi: 10.1063/1.5021597 – volume: 124 start-page: 206401 year: 2020 ident: 1665_CR156 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.124.206401 – volume: 17 start-page: 1425 issue: 11 year: 1975 ident: 1665_CR53 publication-title: Solid State Commun. doi: 10.1016/0038-1098(75)90618-3 – ident: 1665_CR19 doi: 10.1142/9789812775702_0040 – volume: 157 start-page: 154106 issue: 15 year: 2022 ident: 1665_CR122 publication-title: J. Chem. Phys. doi: 10.1063/5.0105684 – ident: 1665_CR158 doi: 10.1142/8633 – volume: 16 start-page: 5014 issue: 8 year: 2020 ident: 1665_CR126 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.0c00391 – ident: 1665_CR67 – volume: 30 start-page: 2745 year: 1984 ident: 1665_CR155 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.30.2745 – volume: 26 start-page: 2322 year: 1982 ident: 1665_CR97 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.26.2322 – volume: 64 start-page: 022501 year: 2001 ident: 1665_CR74 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.64.022501 – volume: 12 start-page: 4303 issue: 9 year: 2016 ident: 1665_CR46 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.6b00637 – ident: 1665_CR166 doi: 10.1007/978-3-030-59088-8 – ident: 1665_CR24 doi: 10.48550/ARXIV.2207.02213 – volume: 59 start-page: 3075 year: 1999 ident: 1665_CR85 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.59.3075 – volume: 34 start-page: 627 year: 1962 ident: 1665_CR160 publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.34.627 – volume: 3 start-page: 625 issue: 9 year: 2021 ident: 1665_CR16 publication-title: Nat. Rev. Phys. doi: 10.1038/s42254-021-00348-9 – volume: 4 start-page: 1170 issue: 8 year: 1974 ident: 1665_CR52 publication-title: J. Phys. F Met. Phys. doi: 10.1088/0305-4608/4/8/013 – volume: 16 start-page: 14504 year: 2014 ident: 1665_CR63 publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/C4CP00118D – volume: 105 start-page: 9982 issue: 22 year: 1996 ident: 1665_CR71 publication-title: J. Chem. Phys. doi: 10.1063/1.472933 – volume: 132 start-page: 164115 issue: 16 year: 2010 ident: 1665_CR76 publication-title: J. Chem. Phys. doi: 10.1063/1.3380834 – volume: 52 start-page: 3628 year: 1995 ident: 1665_CR107 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.52.3628 – start-page: 11 volume-title: Electronic Structure of Solids ’91 year: 1991 ident: 1665_CR44 – volume: 62 start-page: 4947 issue: 21 year: 2014 ident: 1665_CR5 publication-title: J. Agric. Food Chem. doi: 10.1021/jf501687c – volume: 129 start-page: 153001 year: 2022 ident: 1665_CR108 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.129.153001 – ident: 1665_CR35 doi: 10.1007/978-3-642-14090-7 – volume: 57 start-page: 545 issue: 7 year: 1929 ident: 1665_CR82 publication-title: Zeitschrift für Physik doi: 10.1007/BF01340281 – ident: 1665_CR12 doi: 10.48550/ARXIV.2204.02311 – ident: 1665_CR32 doi: 10.1002/pssb.2221230238 – volume: 58 start-page: 1200 issue: 8 year: 1980 ident: 1665_CR43 publication-title: Can. J. Phys. doi: 10.1139/p80-159 – volume: 235 start-page: 419 issue: 1202 year: 1956 ident: 1665_CR163 publication-title: Proc. R. Soc. Lond. Ser. A Math. Phys. Sci. doi: 10.1098/rspa.1956.0094 – volume: 107 start-page: 1 issue: 1 year: 1994 ident: 1665_CR105 publication-title: Adv. Math. doi: 10.1006/aima.1994.1060 – ident: 1665_CR87 doi: 10.48550/ARXIV.2203.12473 – volume: 06 start-page: 437 issue: 04 year: 1996 ident: 1665_CR139 publication-title: Math. Models Methods Appl. Sci. doi: 10.1142/S021820259600016X – volume: 6 start-page: 66 year: 1927 ident: 1665_CR37 publication-title: Rend. Acc. Naz. Lincei – volume: 19 start-page: 427 issue: 3 year: 1981 ident: 1665_CR80 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560190306 – volume: 606 start-page: 49 issue: 7912 year: 2022 ident: 1665_CR9 publication-title: Nature doi: 10.1038/s41586-022-04456-z – volume: 122 start-page: 094116 issue: 9 year: 2005 ident: 1665_CR73 publication-title: J. Chem. Phys. doi: 10.1063/1.1858371 – volume: 12 start-page: 1617 issue: 6 year: 2022 ident: 1665_CR129 publication-title: WIREs Comput. Mol. Sci. doi: 10.1002/wcms.1617 – volume: 61 start-page: 689 year: 1989 ident: 1665_CR140 publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.61.689 – volume: 28 start-page: 544 year: 1983 ident: 1665_CR138 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.28.544 – volume: 13 start-page: 239 issue: 1 year: 2022 ident: 1665_CR57 publication-title: Annu. Rev. Condens. Matter Phys. doi: 10.1146/annurev-conmatphys-031620-102024 – ident: 1665_CR169 – volume: 91 start-page: 142 issue: 7 year: 2018 ident: 1665_CR66 publication-title: Eur. Phys. J. B doi: 10.1140/epjb/e2018-90114-9 – volume: 23 start-page: 22 issue: 1 year: 1977 ident: 1665_CR103 publication-title: Adv. Math. doi: 10.1016/0001-8708(77)90108-6 – volume: 77 start-page: 3865 year: 1996 ident: 1665_CR79 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.77.3865 – volume: 140 start-page: 18 issue: 18 year: 2014 ident: 1665_CR81 publication-title: J. Chem. Phys. doi: 10.1063/1.4870763 – ident: 1665_CR13 doi: 10.22331/q-2018-08-06-79 – volume: 5 start-page: 732 issue: 10 year: 2009 ident: 1665_CR69 publication-title: Nat. Phys. doi: 10.1038/nphys1370 – volume: 140 start-page: 1133 year: 1965 ident: 1665_CR38 publication-title: Phys. Rev. doi: 10.1103/PhysRev.140.A1133 – volume: 48 start-page: 11638 year: 1993 ident: 1665_CR84 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.48.11638 – volume: 53 start-page: 603 year: 1981 ident: 1665_CR111 publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.53.603 – volume: 19 start-page: 532 issue: 2 year: 2023 ident: 1665_CR135 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.2c00953 – ident: 1665_CR175 doi: 10.48550/ARXIV.2105.04384 – volume: 57 start-page: 8972 year: 1998 ident: 1665_CR145 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.57.8972 – volume: 31 start-page: 681 year: 1973 ident: 1665_CR50 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.31.681 – volume: 245 start-page: 949 issue: 2 year: 2022 ident: 1665_CR128 publication-title: Arch. Rational Mech. Anal. doi: 10.1007/s00205-022-01804-1 – volume: 94 start-page: 062509 year: 2016 ident: 1665_CR154 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.94.062509 – volume: 103 start-page: 066401 year: 2009 ident: 1665_CR162 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.103.066401 – volume: 604 start-page: 635 issue: 7907 year: 2022 ident: 1665_CR10 publication-title: Nature doi: 10.1038/s41586-022-04501-x – ident: 1665_CR89 doi: 10.48550/ARXIV.2202.10800 – volume: 93 start-page: 042511 year: 2016 ident: 1665_CR152 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.93.042511 – ident: 1665_CR33 doi: 10.1002/pssb.2221240140 – volume: 15 start-page: 6636 issue: 12 year: 2019 ident: 1665_CR136 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.9b00826 – volume: 97 start-page: 223002 year: 2006 ident: 1665_CR92 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.97.223002 – volume: 83 start-page: 387 issue: 3 year: 2019 ident: 1665_CR109 publication-title: Rep. Math. Phys. doi: 10.1016/s0034-4877(19)30057-6 – volume: 4 start-page: 1 issue: 1 year: 2014 ident: 1665_CR172 publication-title: J. Spect. Theory doi: 10.4171/JST/59 – volume: 113 start-page: 11 issue: 1 year: 2023 ident: 1665_CR93 publication-title: Lett. Math. Phys. doi: 10.1007/s11005-023-01631-9 – volume: 41 start-page: 631 issue: 2 year: 2009 ident: 1665_CR113 publication-title: SIAM J. Math. Anal. doi: 10.1137/080729050 – volume: 95 start-page: 035120 year: 2017 ident: 1665_CR65 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.95.035120 – volume: 66 start-page: 283 issue: 1 year: 2015 ident: 1665_CR6 publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-040214-121420 – ident: 1665_CR94 doi: 10.1080/14786440808520234 – volume: 13 start-page: 4274 year: 1976 ident: 1665_CR54 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.13.4274 – volume: 106 start-page: 050401 year: 2011 ident: 1665_CR153 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.106.050401 – volume: 88 start-page: 133 issue: 1 year: 1983 ident: 1665_CR104 publication-title: Commun. Math. Phys. doi: 10.1007/BF01206884 – volume: 18 start-page: 1584 issue: 3 year: 2022 ident: 1665_CR110 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.1c01206 – volume: 574 start-page: 505 issue: 7779 year: 2019 ident: 1665_CR14 publication-title: Nature doi: 10.1038/s41586-019-1666-5 – volume: 81 start-page: 032122 year: 2010 ident: 1665_CR101 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.81.032122 – volume: 111 start-page: 073003 year: 2013 ident: 1665_CR132 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.111.073003 – volume: 1911 start-page: 110 year: 1911 ident: 1665_CR168 publication-title: Nachrichten von der Gesellschaft der Wissenschaften zu Göttingen, Mathematisch-Physikalische Klasse – volume: 29 start-page: 2353 year: 1984 ident: 1665_CR99 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2353 – volume: 93 start-page: 166 issue: 3 year: 2003 ident: 1665_CR149 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.10551 – volume: 29 start-page: 2339 year: 1984 ident: 1665_CR98 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2339 – ident: 1665_CR165 doi: 10.1002/9783527628025.ch1 – volume: 32 start-page: 26 year: 1985 ident: 1665_CR102 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.32.26 – volume: 133 start-page: 241103 issue: 24 year: 2010 ident: 1665_CR115 publication-title: J. Chem. Phys. doi: 10.1063/1.3522767 – volume: 276 start-page: 238 issue: 1365 year: 1963 ident: 1665_CR55 publication-title: Proc. R. Soc. Lond. Ser. A Math. Phys. Sci. doi: 10.1098/rspa.1963.0204 – volume: 529 start-page: 484 issue: 7587 year: 2016 ident: 1665_CR7 publication-title: Nature doi: 10.1038/nature16961 – volume: 110 start-page: 2828 issue: 6 year: 1999 ident: 1665_CR146 publication-title: J. Chem. Phys. doi: 10.1063/1.478234 – ident: 1665_CR147 doi: 10.48550/ARXIV.COND-MAT/9607046 – ident: 1665_CR170 doi: 10.1017/CBO9780511662195 – ident: 1665_CR116 doi: 10.1007/978-1-4899-0316-7_7 – volume: 73 start-page: 33 year: 2001 ident: 1665_CR29 publication-title: Rev. Mod. Phys. doi: 10.1103/RevModPhys.73.33 – ident: 1665_CR41 doi: 10.1007/978-3-031-22340-2_1 – volume: 70 start-page: 195 issue: 2 year: 1951 ident: 1665_CR26 publication-title: Trans. Am. Math. Soc. – volume: 145 start-page: 054112 issue: 5 year: 2016 ident: 1665_CR91 publication-title: J. Chem. Phys. doi: 10.1063/1.4959126 – volume: 23 start-page: 542 issue: 05 year: 1927 ident: 1665_CR36 publication-title: Math. Proc. Camb. Philos. Soc. doi: 10.1017/S0305004100011683 – volume: 108 start-page: 076401 year: 2012 ident: 1665_CR61 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.108.076401 – volume: 99 start-page: 052501 year: 2019 ident: 1665_CR106 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.99.052501 – volume: 72 start-page: 2981 year: 1994 ident: 1665_CR119 publication-title: Phys. Rev. Lett. doi: 10.1103/PhysRevLett.72.2981 – volume: 44 start-page: 319 issue: S26 year: 1992 ident: 1665_CR123 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.560440828 – volume: 106 start-page: 042807 year: 2022 ident: 1665_CR68 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.106.042807 – volume-title: Quantum Monte Carlo Methods in Physics and Chemistry year: 1999 ident: 1665_CR28 – volume: 88 start-page: 062512 year: 2013 ident: 1665_CR62 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.88.062512 – volume: 29 start-page: 2331 year: 1984 ident: 1665_CR100 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.29.2331 – volume: 355 start-page: 49 issue: 6320 year: 2017 ident: 1665_CR131 publication-title: Science doi: 10.1126/science.aah5975 – volume: 18 start-page: 817 issue: 2 year: 2022 ident: 1665_CR124 publication-title: J. Chem. Theory Comput. doi: 10.1021/acs.jctc.1c01045 – volume: 4 start-page: 207 year: 1996 ident: 1665_CR75 publication-title: Theor. Comput. Chem. doi: 10.1016/S1380-7323(96)80088-4 – volume: 126 start-page: 244104 issue: 24 year: 2007 ident: 1665_CR77 publication-title: J. Chem. Phys. doi: 10.1063/1.2747248 – volume: 22 start-page: 1827 year: 1980 ident: 1665_CR95 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.22.1827 – ident: 1665_CR120 doi: 10.4171/90-1/3 – volume: 81 start-page: 032516 year: 2010 ident: 1665_CR114 publication-title: Phys. Rev. A doi: 10.1103/PhysRevA.81.032516 – volume: 106 start-page: 1063 issue: 3 year: 1997 ident: 1665_CR143 publication-title: J. Chem. Phys. doi: 10.1063/1.473182 – volume: 115 start-page: 2315 issue: 19 year: 2017 ident: 1665_CR45 publication-title: Mol. Phys.. doi: 10.1080/00268976.2017.1333644 – volume: 113 start-page: 155 issue: 2 year: 2013 ident: 1665_CR151 publication-title: Int. J. Quantum Chem. doi: 10.1002/qua.24321 – volume: 68 start-page: 555 issue: 1 year: 2017 ident: 1665_CR133 publication-title: Annu. Rev. Phys. Chem. doi: 10.1146/annurev-physchem-052516-044957 – volume: 53 start-page: 095203 issue: 9 year: 2020 ident: 1665_CR164 publication-title: J. Phys. A Math. Theor. doi: 10.1088/1751-8121/ab69a6 – ident: 1665_CR27 doi: 10.1142/9789812777843_0040 – volume: 96 start-page: 458 year: 2003 ident: 1665_CR161 publication-title: Front. Phys. – volume: 90 start-page: 045109 year: 2014 ident: 1665_CR148 publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.90.045109 – volume: 577 start-page: 1 issue: 1 year: 2001 ident: 1665_CR40 publication-title: AIP Conf. Proc. doi: 10.1063/1.1390175 – volume: 155 start-page: 244111 issue: 24 year: 2021 ident: 1665_CR70 publication-title: J. Chem. Phys. doi: 10.1063/5.0074249 – ident: 1665_CR173 doi: 10.1007/978-0-387-85650-6_14 – volume: 619 start-page: 148 year: 2015 ident: 1665_CR150 publication-title: Chem. Phys. Lett. doi: 10.1016/j.cplett.2014.11.060 – volume: 26 start-page: 376 issue: 3 year: 1930 ident: 1665_CR83 publication-title: Math. Proc. Camb. Philos. Soc. doi: 10.1017/S0305004100016108 – volume: 11 start-page: 57 issue: 1 year: 2020 ident: 1665_CR2 publication-title: Annu. Rev. Condens. Matter Phys. doi: 10.1146/annurev-conmatphys-031218-013413 – volume: 136 start-page: 864 issue: 3B year: 1964 ident: 1665_CR31 publication-title: Phys. Rev. doi: 10.1103/PhysRev.136.B864 |
| SSID | ssj0007250 |
| Score | 2.4180562 |
| Snippet | We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the... Not provided. |
| SourceID | osti crossref springer |
| SourceType | Open Access Repository Enrichment Source Index Database Publisher |
| SubjectTerms | Complex Systems Geometry Group Theory and Generalizations Mathematical and Computational Physics Mathematical Physics and Numerical Simulation of Many-Particle Systems Physics Physics and Astronomy Theoretical |
| Title | Seven useful questions in density functional theory |
| URI | https://link.springer.com/article/10.1007/s11005-023-01665-z https://www.osti.gov/biblio/2419270 |
| Volume | 113 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwlV3PS8MwFA66IejBH1NxTkcO3jSQpUnTHjfdHMq86GCeQpM2IIxObHfY_nrzunZDlIGnUpqk8PLe-16S974gdAMX0QiuJWEejwm3sSEhtYIYGRnLRBTSBPYhRy_-cMyfJmJSFoVlVbZ7dSRZeOpNsVsHWDMdxrjlr-8LstxFdeHW7pDINWbdtf-VDtXL8pi_-_2AoNrMmdKvY9ACXQbH6LAMC3F3NY8naCdJG-ioDBFxaYBZAx2M1jSr7m2vyN802SnyXoGJCc-zxM6nuPD1oE_4I8UxpKjnCwwIttr4w0X14uIMjQf9t_shKe9DIMZZXk6EbwIemCA2WljpGeC-N0wLQy2wnEUijKXHaCRoHDi3FTEZu29S-FZ3tI587xzV0lmaXCAcdSJpYmpDpjn3fK5de4dblgZuiCSkTdSpRKRMSRYOd1ZM1YbmGMSqnFhVIVa1bKLbdZ_PFVXG1tYtkLxyQA9stQbSekyuGJxKS_f_u2pCVGlU2ZbBLv_XvIX2WaEPnNDwCtXyr3ly7WKLXLdRvdt76A3g-fj-3G8XqvUNEDzJVw |
| linkProvider | Springer Nature |
| linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV1LS8QwEB50RdSDb_FtDnrSQDZNmvbgQXywPtaLLniLTdqAIKvYLrL-Hn-ok2x3RRTBg8fSZFomM5lJZuYbgF3fiEYKoyiPRE6Fyy1NmZPUqsw6LrOUFf4esn0dtzri4k7ejcH7sBYmZLsPQ5Jhp_4sdmt61Ey0MXj8jWNJ3-pUysui_4oHtfLw_ARXdY_zs9Pb4xatewlQi1JbURnbRCQ2ya2RTkXW48ZbbqRlziOEZTLNVcRZJlmeoMpnXOX4TsnYmaYxWRwh3XGYQOcj8brT4Uej_V6hF1GX4_z8n19MXuMJVfdb2DVYs7N5mK3dUHI0kJsFGCu6izBXu6SkVvhyEWbaI1hXfJoM-aK2XILoxiM_kV5ZuN4jCbbFyy956JLcp8RXfeIt5uCikYRqyf4ydP6FZyvQ6D51i1UgWTNTNmcu5UaIKBYGx6OddCxBEkXK1qA5ZJG2NTi575HxqD9hlT1bNbJVB7bqtzXYH815HkBz_Dp6w3Neo2Ph0XGtTyOyleY-Cq7w-wfDBdG1Epe_EFv_2_AdmGrdtq_01fn15QZM8yAbgrJ0ExrVS6_YQr-mMttBrAjc_7ccfwCxbAPL |
| linkToPdf | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV1fT9wwDLfYIabtAQYDwRgsD-xpi8ilSdM-8IAGJ_5r0nYSb1mTNBISKmjtCR2fah9xdq93aBpC4oHHqq5bOXbtxPbPADs0iEYrZ7hMVOAqBs9zETX3pvBR6iIXJZ1Dnl-kR0N1cqkv5-DPtBemrXafpiQnPQ2E0lQ1u7ch7j40vvUJQRP9DW6F01Tz-66s8rQc3-Gmrd47PsAV_izl4PDntyPezRXgHjW44Tr1mcp8FrzT0SSeMOS9dNqLSGhhhc6DSaQotAgZmn8hTcB7RqfR9Z0r0gT5voJ5Rd3HaEFDuT_79xuMKLrWnMe_8x_317tBM_4vBdt6tsE7WOxCUrY_0aFlmCurFVjqwlPWGX-9Am_PZxCveLXQ1o76-j0kPwgFio3qMo6uWetnSJfZVcUClcc3Y0bec3LoyNrOyfEqDF9EZmvQq26qch1Y0S-MDyLm0imVpMohPfrMKDJkUeZiA_pTEVnfAZXTvIxr-wCxTGK1KFbbitXeb8CX2TO3E5iOJ6k3SfIWgwxCyvVUUuQbKykjbvD9X6cLYjuDrp9g9uF55J_g9feDgT07vjjdhDeyVQ3FRf4Res3vUbmFIU7jtlutYvDrpdX4L_lYB_4 |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Seven+useful+questions+in+density+functional+theory&rft.jtitle=Letters+in+mathematical+physics&rft.au=Crisostomo%2C+Steven&rft.au=Pederson%2C+Ryan&rft.au=Kozlowski%2C+John&rft.au=Kalita%2C+Bhupalee&rft.date=2023-04-09&rft.issn=1573-0530&rft.eissn=1573-0530&rft.volume=113&rft.issue=2&rft_id=info:doi/10.1007%2Fs11005-023-01665-z&rft.externalDBID=n%2Fa&rft.externalDocID=10_1007_s11005_023_01665_z |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1573-0530&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1573-0530&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1573-0530&client=summon |