Boys function evaluation on graphical processing units

DOI10.1007/S10910-016-0668-XMaRDI QIDQ2399181zbMATH OpenOpenAlexWikidataFDO

Authors Grzegorz Mazur, Marcin Makowski, Roman Łazarski

Publication date 22 August 2017

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

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.1007/s10910-016-0668-x

zbMATH Keywords

Boys functionGPGPUrational approximationtwo-electron integrals

Mathematics Subject Classification ID

Mathematical problems of computer architecture (68M07)

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Cites work

• A Survey of Methods of Computing Minimax and Near-Minimax Polynomial Approximations for Functions of a Single Independent Variable
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• Evaluation of the Boys function using analytical relations
• scientific article; zbMATH DE number 3076923 (Why is no real title available?)

Cited in

(2)

• A convenient expression for the Boys function
• Evaluation of the Boys function using analytical relations

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