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Page 1
Unphysical Discontinuities in GW Methods.
Véril M, Romaniello P, Berger JA, Loos PF. Véril M, et al. Among authors: romaniello p. J Chem Theory Comput. 2018 Oct 9;14(10):5220-5228. doi: 10.1021/acs.jctc.8b00745. Epub 2018 Sep 26. J Chem Theory Comput. 2018. PMID: 30212627
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. Among authors: romaniello p. 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.
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: romaniello p. Faraday Discuss. 2020 Dec 4;224(0):483-508. doi: 10.1039/D0FD90026E. Faraday Discuss. 2020. PMID: 33245076 No abstract available.
29 results