Premium
A vector processing algorithm of auxiliary integral evaluation for two‐electron Gaussian integrals
Author(s) -
Yahiro Shuichi,
Gondo Yasuhiko
Publication year - 1992
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540130103
Subject(s) - gaussian , chebyshev polynomials , term (time) , gaussian integral , expression (computer science) , mathematics , taylor series , polynomial , volume integral , algorithm , basis (linear algebra) , chebyshev filter , mathematical analysis , computer science , integral equation , physics , geometry , quantum mechanics , programming language
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.