Evaluation of the Boys function using analytical relations

DOI10.1007/s10910-005-9023-3zbMath1103.92058OpenAlexW2016409120MaRDI QIDQ862887

I. I. Guseinov, Bahtiyar A. Mamedov

Publication date: 24 January 2007

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

Full work available at URL: https://doi.org/10.1007/s10910-005-9023-3

zbMATH Keywords

quantum chemistrySlater type orbitalsincomplete gamma functionsmulticenter integralsBoys functionGaussian type orbitals

Mathematics Subject Classification ID

Chemistry (92E99) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Boys function evaluation on graphical processing units

Cites Work

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• On the evaluation of Boys functions using downward recursion relation
• Evaluation of incomplete gamma functions using downward recursion and analytical relations
• Numerical accuracy on \(Fm(z)\) for molecular integral calculations
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes

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