Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: Theory of the solvent effect on the electronic excitation of molecules in solution

Journal of Chemical Physics

Volumn 133, Issue 2, 2010, Pages

  Cammi, Roberto ^a   Fukuda, Ryoichi ^b,c   Ehara, Masahiro ^b,c   Nakatsuji, Hiroshi ^c,d  

^a UNIVERSITY OF PARMA   (Italy)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d Quantum Chemistry Research Institute Kyoto   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; CONTINUUM MECHANICS; ELECTRIC EXCITATION; EXCITATION ENERGY; GEOMETRY; OPTIMIZATION; SOLVENTS;

ADIABATIC EXCITATION; CLUSTER-CONFIGURATION INTERACTION; ELECTRONIC DIPOLE MOMENTS; ELECTRONIC EXCITATION; ENERGY DERIVATIVES; ENERGY FUNCTIONALS; EXCITED-STATE GEOMETRIES; IN-VACUUM; LINEAR-RESPONSE APPROACHES; MOLECULAR GEOMETRIES; NONPLANAR CONFORMATION; OPTIMIZED GEOMETRIES; POLARIZABLE CONTINUUM MODEL; S-TRANS; SINGLE-POINT ENERGY; SOLUTE-SOLVENT INTERACTION; SOLVENT EFFECTS; STATE-SPECIFIC APPROACHES; VERTICAL EXCITATION ENERGY;

EXCITED STATES;

EID: 84962339990     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3456540     Document Type: Article

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