Uniform electron gas from the Colle-Salvetti functional: Missing long-range correlations - art. no. 032513

Citation
Jm. Tao et al., Uniform electron gas from the Colle-Salvetti functional: Missing long-range correlations - art. no. 032513, PHYS REV A, 6303(3), 2001, pp. 2513
Citations number
28
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
6303
Issue
3
Year of publication
2001
Database
ISI
SICI code
1050-2947(200103)6303:3<2513:UEGFTC>2.0.ZU;2-T
Abstract
Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)] approximated the corr elation energy of a many- electron system as a functional of the Hartree-Fo ck one-particle density matrix. The most fundamental and least approximate version of this functional [their Eq. (9)] is found to yield only 25% of th e true correlation energy of a uniform electron gas, and not 100% as previo usly believed. While short-range correlations are described surprisingly we ll by this approach, important long-range correlations are missing. Such co rrelations are energetically negligible in atoms, but cannot be ignored in more extended systems, including solids as well as molecules.