Unified treatment of asymptotic van der Waals forces

Citation
E. Hult et al., Unified treatment of asymptotic van der Waals forces, PHYS REV B, 59(7), 1999, pp. 4708-4713
Citations number
46
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
59
Issue
7
Year of publication
1999
Pages
4708 - 4713
Database
ISI
SICI code
0163-1829(19990215)59:7<4708:UTOAVD>2.0.ZU;2-F
Abstract
In a framework for long-range density-functional theory we present a unifie d full-field treatment of the asymptotic van der Waals density functional b y doing the full, self-consistent electrodynamics for atoms, molecules, sur faces, and other objects. The only input needed consists of the electron de nsities of the interacting fragments and the static polarizability or the s tatic image plane, which can be easily evaluated in a ground-state density- functional calculation for each fragment. Results for separated atoms, mole cules, and for atoms/molecules outside surfaces are in agreement with those of other, more elaborate, calculations. [S0163-1829(99)00707-9].