Advances in methods and algorithms in a modern quantum chemistry program package
Shao, Yihan, Molnar, Laszlo Fusti, Jung, Yousung, Kussmann, Jörg, Ochsenfeld, Christian, Brown, Shawn T, Gilbert, Andrew T B, Slipchenko, Lyudmila V, Levchenko, Sergey V, O'Neill, Darragh P, DiStasio, Jr, Robert A, Lochan, Rohini C, Wang, Tao, Beran, Gregory J O, Besley, Nicholas A, Herbert, John M, Lin, Ching Yeh, Van Voorhis, Troy, Chien, Siu Hung, Sodt, Alex, Steele, Ryan P, Rassolov, Vitaly A, Maslen, Paul E, Korambath, Prakashan P, Adamson, Ross D, Austin, Brian, Baker, Jon, Byrd, Edward F C, Dachsel, Holger, Doerksen, Robert J, Dreuw, Andreas, Dunietz, Barry D, Dutoi, Anthony D, Furlani, Thomas R, Gwaltney, Steven R, Heyden, Andreas, Hirata, So, Hsu, Chao-Ping, Kedziora, Gary, Khalliulin, Rustam Z, Klunzinger, Phil, Lee, Aaron M, Lee, Michael S, Liang, Wanzhen, Lotan, Itay, Nair, Nikhil, Peters, Baron, Proynov, Emil I, Pieniazek, Piotr A, Rhee, Young Min, Ritchie, Jim, Rosta, Edina, Sherrill, C David, Simmonett, Andrew C, Subotnik, Joseph E, Woodcock, 3rd, H Lee, Zhang, Weimin, Bell, Alexis T, Chakraborty, Arup K, Chipman, Daniel M, Keil, Frerich J, Warshel, Arieh, Hehre, Warren J, Schaefer, 3rd, Henry F, Kong, Jing, Krylov, Anna I, Gill, Peter M W, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
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Q-Chem 2.0: a high-performanceab initio electronic structure program package
Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.
Published in Journal of computational chemistry (01.12.2000)
Published in Journal of computational chemistry (01.12.2000)
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Journal Article
Q-Chem 2.0: a high-performance ab initio electronic structure program package
Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.
Published in Journal of computational chemistry (01.12.2000)
Published in Journal of computational chemistry (01.12.2000)
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Journal Article
Density Functional Partitions
Pople, John A, Adamson, Ross D, Gill, Peter M. W
Published in Journal of physical chemistry (1952) (11.04.1996)
Published in Journal of physical chemistry (1952) (11.04.1996)
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Efficient calculation of short-range Coulomb energies
Adamson, Ross D., Dombroski, Jeremy P., Gill, Peter M. W.
Published in Journal of computational chemistry (15.07.1999)
Published in Journal of computational chemistry (15.07.1999)
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Chemistry without Coulomb tails
Adamson, Ross D., Dombroski, Jeremy P., Gill, Peter M.W.
Published in Chemical physics letters (31.05.1996)
Published in Chemical physics letters (31.05.1996)
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Effects of Coulomb attenuation on chemical properties
Adamson, Ross D., Gill, Peter M.W.
Published in Journal of molecular structure. Theochem (30.06.1997)
Published in Journal of molecular structure. Theochem (30.06.1997)
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