Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theory

Journal of Computational Chemistry

Volumn 29, Issue 5, 2008, Pages 735-740

  Imamura, Yutaka ^a   Kiryu, Hiroyoshi ^a   Nakai, Hiromi ^a  

^a WASEDA UNIVERSITY   (Japan)

Author keywords

Colle Salvetti type correction; Cusp condition; Nuclear orbital plus molecular orbital theory; Nuclear electron correlation

Indexed keywords

COMPUTATION THEORY; ELECTRONS; NUMERICAL METHODS;

CUSP CONDITION; NUCLEAR ORBITAL; NUCLEAR-ELECTRON CORRELATION; NUCLEUS DENSITIES;

MOLECULAR ORBITALS;

ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; ELECTRON; MATHEMATICAL COMPUTING; PHYSICAL CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; NUMERICAL ANALYSIS, COMPUTER-ASSISTED; QUANTUM THEORY; THERMODYNAMICS;

EID: 40549087586     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20840     Document Type: Article

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