Solvatochromic shifts from coupled-cluster theory embedded in density functional theory

Journal of Chemical Physics

Volumn 139, Issue 10, 2013, Pages

  Höfener, Sebastian ^a   Gomes, André Severo Pereira ^b   Visscher, Lucas ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION TREATMENT; COUPLED-CLUSTER THEORY; DENSITY FUNCTIONALS; ELECTRONIC EXCITATION; ENVIRONMENT EFFECTS; FIRST-PRINCIPLES APPROACHES; SOLVATOCHROMIC SHIFTS; SPECIFIC INTERACTION;

DENSITY FUNCTIONAL THEORY;

NUMERICAL METHODS;

EID: 84903372659     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4820488     Document Type: Article

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