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A vector processing algorithm of auxiliary integral evaluation for two-electron Gaussian integrals

Authors :
Shuichi Yahiro
Yasuhiko Gondo
Source :
Journal of Computational Chemistry. 13:12-16
Publication Year :
1992
Publisher :
Wiley, 1992.

Abstract

A six-term auxiliary integral expression for the two-electron Gaussian integral is derived on the basis of the Chebyshev polynomial approximation instead of the seven-term Taylor expansion. This expression and the related recurrence formula enable us to perform a high-speed calculation on a vector processing computer.

Details

ISSN :
1096987X and 01928651
Volume :
13
Database :
OpenAIRE
Journal :
Journal of Computational Chemistry
Accession number :
edsair.doi...........a9aefdd412ac7b349987040331c047a5
Full Text :
https://doi.org/10.1002/jcc.540130103