New algorithm for nonorthogonal ab initio valence bond calculations. II: Subgraph-driven method

DOI10.1007/BF01165751zbMath0874.05053OpenAlexW2058508207MaRDI QIDQ1360590

Jiabo Li

Publication date: 20 October 1997

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

Full work available at URL: https://doi.org/10.1007/bf01165751

zbMATH Keywords

algorithmnonorthogonal valence bond calculationsnumber of electronsnumber of permanents

Mathematics Subject Classification ID

Applications of graph theory (05C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
• Matrix factorizations of determinants and permanents
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