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