Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: Comparison to experiment

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Lu, Shih I ^a   Chiu, Cheng Chang ^a   Wang, Ying Fung ^a  

^a SOOCHOW UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,4-DIOXANE; DC ELECTRIC FIELD; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXCHANGE POTENTIALS; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FIRST HYPERPOLARIZABILITIES; FUNCTIONALS; FUNDAMENTAL WAVELENGTH; GENERALIZED GRADIENT APPROXIMATIONS; LINEAR CORRECTIONS; LINEAR CORRELATION; MEAN ABSOLUTE ERROR; ORGANIC MOLECULES; SOLVENT EFFECTS; THEORETICAL VALUES;

DICHLOROMETHANE; ELECTRIC FIELDS; ETHERS; ORGANIC SOLVENTS; SOLVENTS;

DENSITY FUNCTIONAL THEORY;

EID: 80054682582     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3644336     Document Type: Article

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