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Get Free AccessKieron 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, Emmanuel Fromager, Matteo Gatti, Sara Giarrusso, Nikitas I. Gidopoulos, Paola Gori‐Giorgi, Duncan Gowland, Trygve Helgaker, M. J. P. Hodgson, Lionel Lacombe, Gianluca Levi, Pierre‐François Loos, Neepa T. Maitra, Eduardo Maurina Morais, Nisha Mehta, Filippo Monti, Manasi R. Mulay, Katarzyna Pernal, Lucia Reining, Pina Romaniello, Matthew R. Ryder, Andreas Savin, Dumitru Sirbu, Andrew M. Teale, Alex J. W. Thom, Donald G Truhlar, Jack Wetherell, Weitao Yang (2020). New approaches to study excited states in density functional theory: general discussion. , 224(0), DOI: https://doi.org/10.1039/d0fd90026e.
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Type
Article
Year
2020
Authors
29
Datasets
0
Total Files
0
Language
en
DOI
https://doi.org/10.1039/d0fd90026e
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