A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution

Journal of Chemical Physics

Volumn 125, Issue 5, 2006, Pages

  Improta, Roberta ^a   Barone, Vincenzo ^b   Scalmani, Giovanni ^c   Frisch, Michael J ^c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b CNR   (Italy)

^c GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CONTINUUM MECHANICS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; LINEAR SYSTEMS; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELAXATION PROCESSES; SOLVENTS; SPECTROSCOPIC ANALYSIS;

PARAMOUNT RELEVANCE; POLARIZABLE CONTINUUM MODEL (PCM); STATE SPECIFIC(SS); TIME DEPENDENT DENSITY FUNCTIONAL THEORY (TD-DFT);

SOLUTIONS;

COUMARIN 153; COUMARIN DERIVATIVE; FORMALDEHYDE; SOLVENT;

ARTICLE; BIOPHYSICS; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ELECTRON; METHODOLOGY; PHYSICAL CHEMISTRY; SPECTROPHOTOMETRY; STATISTICAL MODEL; TIME;

BIOPHYSICS; CHEMISTRY, PHYSICAL; COUMARINS; ELECTRONS; FORMALDEHYDE; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR CONFORMATION; SOFTWARE; SOLVENTS; SPECTROPHOTOMETRY; TIME FACTORS;

EID: 33746868881     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2222364     Document Type: Article

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