A discrete solvent reaction field model for calculating frequency-dependent hyperpolarizabilities of molecules in solution

Journal of Chemical Physics

Volumn 119, Issue 24, 2003, Pages 12998-13006

  Jensen, Lasse ^a   Van Duijnen, Piet Th ^a   Snijders, Jaap G ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELDS; HAMILTONIANS; INTEGRAL EQUATIONS; LINEAR EQUATIONS; MATHEMATICAL MODELS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOLUTIONS; STATISTICAL METHODS; VAN DER WAALS FORCES; WATER;

DENSITY FUNCTIONAL THEORY; DISCRETE SOLVENT REACTION FIELD; ELECTRIC FIELD INDUCED SECOND HARMONIC GENERATION; FREQUENCY-DEPENDENT HYPERPOLARIZABILITY;

MOLECULAR DYNAMICS;

EID: 0942268380     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1627760     Document Type: Article

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