Title

A Statistical Approach To The Configuration-Interaction Problem

Title - Alternative

Chem. Phys. Lett.

Keywords

ELECTRON CORRELATION; PERTURBATION-THEORY; CI METHOD; PROJECTION; SPACE; Chemistry, Physical; Physics, Atomic, Molecular & Chemical

Abstract

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.

Publication Title

Chemical Physics Letters

Volume

178

Issue/Number

1

Publication Date

1-1-1991

Document Type

Article

Language

English

First Page

55

Last Page

59

WOS Identifier

WOS:A1991FB89600009

ISSN

0009-2614

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