Combining the bethe-salpeter formalism with time-dependent DFT excited-state forces to describe optical signatures: NBO fluoroborates as working examples

Journal of Chemical Theory and Computation

Volumn 10, Issue 10, 2014, Pages 4548-4556

  Boulanger, Paul ^a   Chibani, Siwar ^b   Le Guennic, Boris ^c   Duchemin, Ivan ^d   Blase, Xavier ^a,d   Jacquemin, Denis ^b,e  

^a CNRS   (France)

^b UNIVERSITÉ DE NANTES   (France)

^c INSTITUT DES SCIENCES CHIMIQUES DE RENNES   (France)

^d UNIV GRENOBLE ALPES   (France)

^e INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84908006521     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500552e     Document Type: Article

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