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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Autor: Teale, Andrew Michael, Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Balint, Arbuznikov, Alexei V., Ayers, Paul W., Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cances, Eric, Carter, Emily A., Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, de Proft, Frank, Dobson, John F., Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jaili, Geerlings, Paul, Gidopoulos, Nikitas I., Gill, Peter M. W., Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O., Kaupp, Martin, Köster, Andreas M., Kronik, Leeor, Krylov, Anna I., Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre-Francois, Maitra, Neepa T., Neese, Frank, Perdew, John P., Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R., Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik Ingemar, Tozer, David J., Trickey, Samuel B., Ullrich, Carsten A., Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A., Xu, Xin, Yang, Weitao

Publikováno v: Teale, Andrew Michael Helgaker, Trygve Savin, Andreas Adamo, Carlo Aradi, Balint Arbuznikov, Alexei V. Ayers, Paul W. Baerends, Evert Jan Barone, Vincenzo Calaminici, Patrizia Cances, Eric Carter, Emily A. Chattaraj, Pratim Kumar Chermette, Henry Ciofini, Ilaria Crawford, T. Daniel de Proft, Frank Dobson, John F. Draxl, Claudia Frauenheim, Thomas Fromager, Emmanuel Fuentealba, Patricio Gagliardi, Laura Galli, Giulia Gao, Jaili Geerlings, Paul Gidopoulos, Nikitas I. Gill, Peter M. W. Gori-Giorgi, Paola Görling, Andreas Gould, Tim Grimme, Stefan Gritsenko, Oleg Jensen, Hans Jørgen Aagaard Johnson, Erin R. Jones, Robert O. Kaupp, Martin Köster, Andreas M. Kronik, Leeor Krylov, Anna I. Kvaal, Simen Laestadius, Andre Levy, Mel Lewin, Mathieu Liu, Shubin Loos, Pierre-Francois Maitra, Neepa T. Neese, Frank Perdew, John P. Pernal, Katarzyna Pernot, Pascal Piecuch, Piotr Rebolini, Elisa Reining, Lucia Romaniello, Pina Ruzsinszky, Adrienn Salahub, Dennis R. Scheffler, Matthias Schwerdtfeger, Peter Staroverov, Viktor N. Sun, Jianwei Tellgren, Erik Ingemar Tozer, David J. Trickey, Samuel B. Ullrich, Carsten A. Vela, Alberto Vignale, Giovanni Wesolowski, Tomasz A. Xu, Xin Yang, Weitao . DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry, Chemical Physics - PCCP. 2022
Physical Chemistry, Chemical Physics - PCCP

Externí odkaz: http://hdl.handle.net/10852/101103

Performance Enhancement of APW+ lo Calculations by Simplest Separation of Concerns.

Autor: Zhang, Long, Kozhevnikov, Anton, Schulthess, Thomas, Cheng, Hai-Ping, Trickey, Samuel B.

Publikováno v: Computation; Mar2022, Vol. 10 Issue 3, p43-43, 18p

Chapter Nine - Frank Discussion of the Status of Ground-State Orbital-Free DFT

Autor: Karasiev, Valentin V. ^*, Trickey, Samuel B. ^*

Publikováno v: In Advances in Quantum Chemistry 2015 71:221-245

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