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Journal of Molecular Structure: THEOCHEM

Volumn 591, Issue 1-3, 2002, Pages 255-266

Time-dependent density functional theory calculations of molecular static and dynamic polarizabilities, cauchy coefficients and their anisotropies with atomic numerical basis functions

(3) Hu, Anguang a York, Darrin M b Woo, Tom K a

a UNIVERSITY OF WESTERN ONTARIO (Canada)

b University of Minnesota (United States)

Author keywords

Dynamic polarizability; Molecular polarizabilities; Numerical basis sets; Time dependent density functional theory

Indexed keywords

AMINE; BENZENE; CARBON DIOXIDE; ETHYLENE; METHANE; NITROGEN; WATER;

ANISOTROPY; ARTICLE; CALCULATION; DENSITY; DENSITY FUNCTIONAL THEORY; DIPOLE; MOLECULAR DYNAMICS; POLARIZATION; ROTATION; THEORY;

EID: 0037200228 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00246-4 Document Type: Article

Times cited : (9)

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