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The last 5 uploaded publications
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov, Paul W. Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Éric Cancès, Emily A. Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T. Daniel Crawford, Frank De Proft, John F. Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I. Gidopoulos, Peter M. W. Gill, Paola Gori‐Giorgi, Andreas Görling, Tim Gould, Stefan Grimme, O. V. Gritsenko, Hans Jørgen Aa. Jensen, Erin R. Johnson, R. Jones, Martin Kaupp, Andreas M. Köster, Leeor Kronik, Anna I. Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre‐François Loos, Neepa T. Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R. Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N. Staroverov, Jianwei Sun, Erik I. Tellgren, David J. Tozer, S. B. Trickey, Carsten A. Ullrich, Alberto Vela, Giovanni Vignale, Tomasz A. Wesołowski, Xin Xu, Weitao Yang (2022). DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics, 24(47), pp. 28700-28781, DOI: 10.1039/d2cp02827a.
Article394 days agoEin neuer Blick auf die Elektronenlokalisierung
Andreas Savin, Axel D Becke, J. Flad, Reinhard Nesper, H. Preuß, Hans Georg̀ von Schnering (1991). Ein neuer Blick auf die Elektronenlokalisierung. , 103(4), DOI: https://doi.org/10.1002/ange.19911030410.
Article161 days agoHybrid functionals with local range separation
Aliaksandr V. Krukau, Gustavo E. Scuseria, John P Perdew, Andreas Savin (2008). Hybrid functionals with local range separation. , 129(12), DOI: https://doi.org/10.1063/1.2978377.
Article48 days agoEscaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory
John P Perdew, Andreas Savin, Kieron Burke (1995). Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory. , 51(6), DOI: https://doi.org/10.1103/physreva.51.4531.
Article46 days agoStrong correlation in density functional theory: general discussion
Emmanuel Fromager, Nikitas I. Gidopoulos, Paola Gori‐Giorgi, Trygve Helgaker, Pierre‐François Loos, Thomas Malcomson, Katarzyna Pernal, Andreas Savin, Donald G Truhlar, Meilani Wibowo, Weitao Yang (2020). Strong correlation in density functional theory: general discussion. , 224(0), DOI: https://doi.org/10.1039/d0fd90025g.
Article33 days ago