Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

Journal of Chemical Physics

Volumn 109, Issue 24, 1998, Pages 10657-10668

  Van Gisbergen, S J A ^a   Snijders, J G ^b   Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; ELECTRIC EXCITATION; ELECTRIC FIELDS; ELECTRON ENERGY LEVELS; POLARIZATION; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; SECOND HARMONIC GENERATION;

ADIABATIC LOCAL DENSITY APPROXIMATION; BECKE-LEE-YANG-PARR; DENSITY FUNCTIONAL THEORY; FREQUENCY DEPENDENT HYPERPOLARIZABILITIES; GENERALIZED GRADIENT APPROXIMATION; LOCAL DENSITY APPROXIMATION; NONLINEAR OPTICAL RESPONSE; VAN LEEUWEN-BAERENDS;

MOLECULES;

EID: 0032558951     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477763     Document Type: Article

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