Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods

Journal of Chemical Physics

Volumn 123, Issue 13, 2005, Pages

  Corni, S ^a   Cammi, R ^b   Mennucci, B ^c   Tomasi, J ^c  

^a INFM   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

^c UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; ELECTROSTATICS; FUNCTIONS; MATHEMATICAL MODELS; QUANTUM THEORY; SOLVENTS;

EXCITATION ENERGY; LINEAR-RESPONSE (LR) APPROACH; SOLUTE; STATE-SPECIFIC (SS) APPROACH;

SOLUTIONS;

SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRONICS; THEORETICAL MODEL;

COMPUTER SIMULATION; ELECTRONICS; MODELS, MOLECULAR; MODELS, THEORETICAL; SOLVENTS;

EID: 33645506557     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2039077     Document Type: Article

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