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

DOI10.1023/A:1019100703879zbMATH Open0934.92037MaRDI QIDQ1126933FDOQ1126933

Authors: Thorstein Thorsteinsson, David L. Cooper 

Publication date: 10 April 2000

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

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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

Cited In (2)

• A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital-valence bond method
• Modern \textit{ab initio} valence Bond methods

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