A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method

Journal of Chemical Physics

Volumn 139, Issue 4, 2013, Pages

  Caricato, Marco ^a  

^a GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; EXCITED STATES; NUMERICAL METHODS; QUANTUM CHEMISTRY; QUANTUM THEORY; SOLVATION;

COMPUTATIONAL REQUIREMENTS; COMPUTATIONALLY EFFICIENT; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER SINGLES AND DOUBLES; ELECTRONIC TRANSITION ENERGIES; POLARIZABLE CONTINUUM MODEL; QUANTUM MECHANICAL METHOD; TRANSITION PROBABILITIES;

SOLVENTS;

EID: 84962449740     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4816482     Document Type: Article

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