A Statistical Approach To The Configuration-Interaction Problem

    Authors

    S. Zarrabian; M. K. Kazempour;G. A. Estevez

    Comments

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    Abbreviated Journal Title

    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.

    Journal 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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