Using partial fraction formulas to sum some slowly convergent series analytically for molecular integral calculations-Reference-Cited by-同舟云学术

Using partial fraction formulas to sum some slowly convergent series analytically for molecular integral calculations

Published:1989-07 Issue:3 Volume:23 Page:13-18
ISSN:0163-5824
Container-title:ACM SIGSAM Bulletin
language:en
Short-container-title:SIGSAM Bull.

Author:

Barnett M. P.

Abstract

Two sets of rational expressions, needed for quantum chemical calculations, have been constructed by mechanical application of partial fraction and polynomial operations on a CYBER 205. The algorithms were coded in FORTRAN, using simple array manipulation. The results suggest extensions that could be tackled with general algebraic manipulation programs.

Publisher

Association for Computing Machinery (ACM)

Link

https://dl.acm.org/doi/pdf/10.1145/74646.74648

Reference2 articles.

1. Barnett M. P. Improved Convergence of ζ-Function Computation of Molecular Integrals - Basic Principle in course of publication. Barnett M. P. Improved Convergence of ζ-Function Computation of Molecular Integrals - Basic Principle in course of publication.

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