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Necessary conditions for the N‐representability of...
Journal article

Necessary conditions for the N‐representability of pair distribution functions

Abstract

Abstract A necessary condition for the N ‐representability of the electron pair density proposed by one of the authors (E. R. D.) is generalized. This shows a link between this necessary condition and other, more widely known, N ‐representability conditions for the second‐order density matrix. The extension to spin‐resolved electron pair densities is considered, as is the extension to higher‐order distribution functions. Although quantum …

Authors

Ayers PW; Davidson ER

Journal

International Journal of Quantum Chemistry, Vol. 106, No. 7, pp. 1487–1498

Publisher

Wiley

Publication Date

1 2006

DOI

10.1002/qua.20880

ISSN

0020-7608