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Constraints for hierarchies of many electron...
Journal article

Constraints for hierarchies of many electron distribution functions

Abstract

Some inequalities that constrain the reconstruction of k-electron distribution functions from lower-order distribution functions are presented. These inequalities are related to the N-representability conditions on electron distributions functions and they have two basic types: (1) general N-representability inequalities, which are very powerful but difficult to apply and (2) generalized “Davidson” inequalities, which are less powerful but which may be more facile in computational implementations. A constraint on the exchange-correlation hole is also presented.

Authors

Ayers PW

Journal

Journal of Mathematical Chemistry, Vol. 44, No. 2,

Publisher

Springer Nature

Publication Date

August 1, 2008

DOI

10.1007/s10910-007-9261-7

ISSN

0259-9791

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