Title :
Gröbner Basis Technique for Algebraic Formulas in Electron Correlation Theories
Author :
Osoekawa, Takeshi ; Shinohara, Naoyuki ; Mochizuki, Yuji ; Yokoyama, Kazuhiro
Author_Institution :
Fac. of Sci., Rikkyo Univ., Tokyo, Japan
Abstract :
This paper describes an algorithm to simplify algebraic formulas appear in electron correlation theories using Grobner basis.The algorithm is designed to sum up the equivalent terms under a set of rewriting rules so that we obtain the simplest representation of the formula.This paper also discusses improvements of our algorithm.
Keywords :
algebra; electron correlations; quantum chemistry; rewriting systems; Gröbner basis technique; algebraic formulas; electron correlation theories; rewriting rules; Electrons; Grobner basis; Moller-Plesset perturbation theory; electron correlation theories; term rewriting;
Conference_Titel :
Computational Science and Its Applications (ICCSA), 2010 International Conference on
Conference_Location :
Fukuoka
Print_ISBN :
978-0-7695-3999-7
Electronic_ISBN :
978-1-4244-6462-3
DOI :
10.1109/ICCSA.2010.30
