IMPROVED ALGORITHMS FOR THE LOWEST FEW EIGENVALUES AND ASSOCIATED EIGENVECTORS OF LARGE MATRICES

被引：121

作者：

MURRAY, CW

RACINE, SC

DAVIDSON, ER

机构：

[1] Department of Chemistry, Indiana University, Bloomington

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 1992年 / 103卷 / 02期

关键词：

D O I：

10.1016/0021-9991(92)90409-R

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Some modifications of Davidson's eigenvalue algorithm are discussed and their performances on a number of test cases are assessed. They are found to offer improvements over the original algorithm. A method for solving the equations stemming from the quasi degenerate variational perturbation theory is presented. Solutions can be obtained as simply as with the eigenvalue algorithm for both ground and excited states. © 1992.

引用

页码：382 / 389

页数：8

共 17 条

[1] MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS [J].