Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions

Theoretical Chemistry Accounts

Volumn 94, Issue 4, 1996, Pages 233-245

  Thorsteinsson, Thorstein ^a,b   Cooper, David L ^a  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

CASSCF; Orbital optimization; VB

Indexed keywords

EID: 0001194442     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf00186445     Document Type: Article

References (24)

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2. For a review of the spin-coupled method see, for example: Cooper DL, Gerratt J, Raimondi M (1987) Adv Chem Phys 69:319
3. Thorsteinsson T (1995) Ph.D. Thesis, University of Liverpool, UK
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