Open AccessCharge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?
Author(s) -
Dávid Mester,
Mihály Kállay
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c01307
Subject(s) - density functional theory , charge (physics) , transfer (computing) , computer science , statistical physics , chemical physics , physics , quantum mechanics , parallel computing
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