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

✍ Scribed by Shuichi Yahiro; Yasuhiko Gondo

Publisher: John Wiley and Sons
Year: 1992
Tongue: English
Weight: 443 KB
Volume: 13
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540130103

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✦ Synopsis

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.

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