Evaluation of the Boys function using analytical relations

DOI10.1007/S10910-005-9023-3zbMATH Open1103.92058OpenAlexW2016409120MaRDI QIDQ862887FDOQ862887

Authors 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

Slater type orbitalsquantum chemistryincomplete gamma functionsmulticenter integralsBoys functionGaussian type orbitals

Mathematics Subject Classification ID

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

Recommendations

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Cites Work

• scientific article; zbMATH DE number 3824228 (Why is no real title available?)
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• Evaluation of incomplete gamma functions using downward recursion and analytical relations
• Numerical accuracy on \(Fm(z)\) for molecular integral calculations
• On the evaluation of Boys functions using downward recursion relation

Cited In (4)

• Analytical evaluation of the Marcus-Hush-Chidsey function using binomial expansion theorem and error functions
• On the evaluation of Boys functions using downward recursion relation
• A convenient expression for the Boys function
• Boys function evaluation on graphical processing units

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