Modern \textit{ab initio} valence Bond methods

DOI10.1142/9781848167254_0008MaRDI QIDQ2848240zbMATH OpenOpenAlexFDO

Authors Philippe C. Hiberty, Sason Shaik

Publication date 26 September 2013

Published in Solving the Schrödinger Equation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/9781848167254_0008

zbMATH Keywords

molecular orbitalvalence bond

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55)

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Cited in

(1)

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

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