A STATISTICAL APPROACH TO THE CONFIGURATION-INTERACTION PROBLEM

被引：6
|
作者：
ZARRABIAN, S
KAZEMPOUR, MK
ESTEVEZ, GA
机构：
[1] UNIV CENT FLORIDA,DEPT ELECT ENGN,ORLANDO,FL 32816
[2] UNIV CENT FLORIDA,DEPT STAT,ORLANDO,FL 32816
[3] UNIV CENT FLORIDA,DEPT PHYS,ORLANDO,FL 32816
来源：
CHEMICAL PHYSICS LETTERS | 1991年 / 178卷 / 01期
关键词：
D O I：
10.1016/0009-2614(91)85052-X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new statistical approach to the configuration interaction problem is proposed. It will potentially reduce the size of CI vectors significantly and thus alleviate one of the main hindrances to doing very large CI calculations. This method will also provide us with statistical confidence limits on lower and upper bounds. These confidence bounds are qualitatively different from mathematically more rigorous lower bounds discussed elsewhere. The approach is discussed and possible algorithms presented.
引用
收藏
页码：55 / 59
页数：5
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