Open AccessImportance of imposing gauge invariance in time-dependent density functional theory calculations with meta-generalized gradient approximations
Author(s) -
Robin Grotjahn,
Filipp Furche,
Martin Kaupp
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0113083
Subject(s) - time dependent density functional theory , density functional theory , gauge theory , gauge (firearms) , physics , excitation , valence (chemistry) , mathematics , quantum mechanics , materials science , metallurgy
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