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New approaches to study excited states in density functional theory: general discussion.
Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, Mehta N, Monti F, Mulay MR, Pernal K, Reining L, Romaniello P, Ryder MR, Savin A, Sirbu D, Teale AM, Thom AJW, Truhlar DG, Wetherell J, Yang W. Brandenburg JG, et al. Among authors: teale am. Faraday Discuss. 2020 Dec 4;224(0):483-508. doi: 10.1039/D0FD90026E. Faraday Discuss. 2020. PMID: 33245076 No abstract available.
New density-functional approximations and beyond: general discussion.
Brandenburg JG, Burke K, Cancio A, Erhard J, Fromager E, Ghosal A, Gidopoulos N, Gori-Giorgi P, Helgaker T, Hourahine B, Jacob CR, Kooi D, Maitra N, Mulay MR, Pernal K, Pribram-Jones A, Reining L, Romaniello P, Ryder MR, Savin A, Skylaris CK, Teale AM, Tozer D, Truhlar DG, Yang W. Brandenburg JG, et al. Among authors: teale am. Faraday Discuss. 2020 Dec 4;224(0):166-200. doi: 10.1039/D0FD90023K. Faraday Discuss. 2020. PMID: 33232402 No abstract available.
Uniform magnetic fields in density-functional theory.
Tellgren EI, Laestadius A, Helgaker T, Kvaal S, Teale AM. Tellgren EI, et al. Among authors: teale am. J Chem Phys. 2018 Jan 14;148(2):024101. doi: 10.1063/1.5007300. J Chem Phys. 2018. PMID: 29331113 Free article.
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, Crawford TD, De Proft F, Dobson JF, Draxl C, Frauenheim T, Fromager E, Fuentealba P, Gagliardi L, Galli G, Gao J, Geerlings P, Gidopoulos N, Gill PMW, Gori-Giorgi P, Görling A, Gould T, Grimme S, Gritsenko O, Jensen HJA, Johnson ER, Jones RO, Kaupp M, Köster AM, Kronik L, Krylov AI, Kvaal S, Laestadius A, Levy M, Lewin M, Liu S, Loos PF, Maitra NT, Neese F, Perdew JP, Pernal K, Pernot P, Piecuch P, Rebolini E, Reining L, Romaniello P, Ruzsinszky A, Salahub DR, Scheffler M, Schwerdtfeger P, Staroverov VN, Sun J, Tellgren E, Tozer DJ, Trickey SB, Ullrich CA, Vela A, Vignale G, Wesolowski TA, Xu X, Yang W. Teale AM, et al. Phys Chem Chem Phys. 2022 Dec 7;24(47):28700-28781. doi: 10.1039/d2cp02827a. Phys Chem Chem Phys. 2022. PMID: 36269074 Free PMC article. Review.
54 results