Calculation of static zero-point vibrational averaging corrections and other vibrational curvature contributions to polarizabilities and hyperpolarizabilities using field-induced coordinates

International Journal of Quantum Chemistry

Volumn 80, Issue 3, 2000, Pages 471-479

  Luis, Josep M ^a,c   Champagne, Benoît ^b   Kirtman, Bernard ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF NAMUR   (Belgium)

^c Institute of Computational Chemistry   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POLARIZATION; POLYOLEFINS;

HARTREE-FOCK THEORY; POLYENE;

QUANTUM THEORY;

EID: 0034325104     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2000)80:3<471::AID-QUA17>3.0.CO;2-B     Document Type: Article

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