Beyond vibrational self-consistent-field methods: Benchmark calculations for the fundamental vibrations of ethylene

International Journal of Quantum Chemistry

Volumn 104, Issue 5, 2005, Pages 667-680

  Christiansen, Ove ^a   Luis, Josep M ^a,b  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

Ethylene; Fundamental vibrations; VCC; VCI; VMP; VSCF

Indexed keywords

BENCHMARKING; CONVERGENCE OF NUMERICAL METHODS; DERIVATIVES; ELECTRONIC STRUCTURE; ETHYLENE; LATTICE VIBRATIONS; POTENTIAL ENERGY;

FUNDAMENTAL VIBRATIONS; VCC; VCI; VMP; VSCF;

QUANTUM THEORY;

EID: 24944469254     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20615     Document Type: Article

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