Fully variational optimization of modern VB wave functions using the CASVB strategy

International Journal of Quantum Chemistry

Volumn 65, Issue 5, 1997, Pages 439-451

  Cooper, David L ^a   Thorsteinsson, Thorstein ^b   Gerratt, Joseph ^c  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

CASSCF; CASVB; Modern VB; Multiconfiguration spin coupled; Nonorthogonal orbital optimization

Indexed keywords

EID: 0001055020     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)65:5<439::AID-QUA8>3.0.CO;2-X     Document Type: Article

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