New approaches to study excited states in density functional theory: general discussion
Article 2020 en
Authors
JB
Jan Gerit Brandenburg
KB
Kieron Burke
EF
Emmanuel Fromager
Abstract
1 min read
Kieron Burke opened discussion of the paper by Neepa Maitra: My question is, could one give a more quantitative answer to the suggestion: if orbital occupations stay close to ground state, does the adiabatic approximation work? We have found it very helpful in our ground-state work (with
Jan Gerit Brandenburg, Kieron Burke, Antonio C. Cancio, Jannis Erhard, Emmanuel Fromager, Abhisek Ghosal, Nikitas I. Gidopoulos, Paola Gori‐Giorgi, Trygve Helgaker, B. Hourahine, Christoph R. Jacob, Derk P. Kooi, Neepa T. Maitra, Manasi R. Mulay, Katarzyna Pernal, Aurora Pribram−Jones, Lucia Reining, Pina Romaniello, Matthew R. Ryder, Andreas Savin, Chris‐Kriton Skylaris, Andrew M. Teale, David J. Tozer, Donald G Truhlar, Weitao Yang
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