Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB

DOI10.1023/A:1019100703879zbMath0934.92037MaRDI QIDQ1126933

David L. Cooper, Thorstein Thorsteinsson

Publication date: 10 April 2000

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

zbMATH Keywords

complete active space self-consistent fieldcomplete active space valence bondvalence bond wavefunctions

Mathematics Subject Classification ID

Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Localized Atomic and Molecular Orbitals
• The electronic structure of conjugated systems. VI

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