Open AccessCommunication: Correct charge transfer in CT complexes from the Becke’05 density functional
Author(s) -
Axel D. Becke,
Stephen G. Dale,
Erin R. Johnson
Publication year - 2018
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5039742
Subject(s) - density functional theory , transfer (computing) , charge (physics) , materials science , physics , biological system , molecular physics , computer science , chemistry , computational chemistry , quantum mechanics , biology , parallel computing
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