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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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M. Talipov

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Open access Aug 2026

Symbolic Valence Bond Theory for Chemists: The symvb Package

Valence‐bond (VB) theory provides a structural language for reasoning about molecular electronic structure, but its practical use is limited by the algebra of matrix elements between non‐orthogonal VB structures. We introduce symvb, a SymPy‐based package that automates this algebra through Löwdin's cofactor expansion...

Punhasa S. Senanayake, M. Talipov · 0 citations

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