Off-diagonal self-energy terms and partially self-consistency in GW calculations for single molecules: Efficient implementation and quantitative effects on ionization potentials

Journal of Chemical Theory and Computation

Volumn 11, Issue 11, 2015, Pages 5152-5160

  Kaplan, F ^a   Weigend, F ^a,d   Evers, F ^b   Van Setten, M J ^c  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF REGENSBURG   (Germany)

^c UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^d KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84946925996     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00394     Document Type: Article

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