Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method
Lang, Jakub, Brabec, Jiří, Saitow, Masaaki, Pittner, Jiří, Neese, Frank, Demel, Ondřej
Published in Physical chemistry chemical physics : PCCP (27.02.2019)
Published in Physical chemistry chemical physics : PCCP (27.02.2019)
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Journal Article
Three-body potential and third virial coefficients for helium including relativistic and nuclear-motion effects
Lang, Jakub, Garberoglio, Giovanni, Przybytek, Micha, Jeziorska, Ma gorzata, Jeziorski, Bogumi
Published in Physical chemistry chemical physics : PCCP (13.09.2023)
Published in Physical chemistry chemical physics : PCCP (13.09.2023)
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Journal Article
Hilbert space multireference coupled cluster tailored by matrix product states
Demel, Ondřej, Brandejs, Jan, Lang, Jakub, Brabec, Jiří, Veis, Libor, Legeza, Örs, Pittner, Jiří
Published in The Journal of chemical physics (14.12.2023)
Published in The Journal of chemical physics (14.12.2023)
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Journal Article
Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster methodElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp03577f
Lang, Jakub, Brabec, Ji í, Saitow, Masaaki, Pittner, Ji í, Neese, Frank, Demel, Ond ej
Year of Publication 27.02.2019
Year of Publication 27.02.2019
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Journal Article
Ground state of the Fe()-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study
Antalík, Andrej, Nachtigallová, Dana, Lo, Rabindranath, Matoušek, Mikuláš, Lang, Jakub, Legeza, Örs, Pittner, Ji í, Hobza, Pavel, Veis, Libor
Published in Physical chemistry chemical physics : PCCP (05.08.2020)
Published in Physical chemistry chemical physics : PCCP (05.08.2020)
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Journal Article
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
Lang, Jakub, Antalík, Andrej, Veis, Libor, Brandejs, Jan, Brabec, Jiří, Legeza, Örs, Pittner, Jiří
Published in Journal of chemical theory and computation (12.05.2020)
Published in Journal of chemical theory and computation (12.05.2020)
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Journal Article
A water-soluble [60]fullerene-derivative stimulates chlorophyll accumulation and has no toxic effect on Chlamydomonas reinhardtii
Lang, Jakub, Melnykova, Mariia, Catania, Michele, Inglot, Alicja, Zyss, Aleksandra, Mikruta, Katarzyna, Firgolska, Daria, Wieremiejczuk, Agata, Książek, Izabela, Serda, Maciej, Nalepa, Paweł, Pluciński, Bartosz, Giza, Aleksandra, Jedynak, Paweł
Published in Acta biochimica Polonica (07.07.2019)
Published in Acta biochimica Polonica (07.07.2019)
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Journal Article
A MRCC study of the isomerisation of cyclopropane
Lang, Jakub, Švaňa, Matej, Demel, Ondřej, Brabec, Jiri, Kedžuch, Stanislav, Noga, Jozef, Kowalski, Karol, Pittner, Jiří
Published in Molecular physics (17.11.2017)
Published in Molecular physics (17.11.2017)
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Journal Article
Complete Active Space Iterative Coupled Cluster Theory
Feldmann, Robin, Mörchen, Max, Lang, Jakub, Lesiuk, Michał\, Reiher, Markus
Year of Publication 09.04.2024
Year of Publication 09.04.2024
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Journal Article
Three-body potential and third virial coefficients for helium including relativistic and nuclear-motion effects
Lang, Jakub, Garberoglio, Giovanni, Przybytek, Michal, Jeziorska, Malgorzata, Jeziorski, Bogumil
Year of Publication 16.04.2023
Year of Publication 16.04.2023
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Journal Article
Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces
Garberoglio, Giovanni, Harvey, Allan H, Lang, Jakub, Przybytek, Michal, Lesiuk, Michal, Jeziorski, Bogumil
Year of Publication 06.08.2024
Year of Publication 06.08.2024
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Journal Article
Collision-induced three-body polarizability of helium
Lang, Jakub, Lesiuk, Michal, Przybytek, Michal, Jeziorski, Bogumil
Published in arXiv.org (18.11.2022)
Published in arXiv.org (18.11.2022)
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Journal Article
Hilbert space multireference coupled clusters tailored by matrix product states
Demel, Ondrej, Brandejs, Jan, Lang, Jakub, Brabec, Jiri, Veis, Libor, Ors Legeza, Pittner, Jiri
Published in arXiv.org (04.04.2023)
Published in arXiv.org (04.04.2023)
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Journal Article