van der Waals bonds in density-functional theory - art. no. 032502

Authors
Engel, E Hock, A Dreizler, RM
Citation
E. Engel et al., van der Waals bonds in density-functional theory - art. no. 032502, PHYS REV A, 6103(3), 2000, pp. 2502
Citations number
30
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
6103
Issue
3
Year of publication
2000
Database
ISI
SICI code
1050-2947(200003)6103:3<2502:VDWBID>2.0.ZU;2-9
Abstract
The concept of implicit exchange-correlation energy functionals [optimized potential method (OPM)] is applied to the helium and neon dimers. Using the lowest order correlation functional obtained within Kohn-Sham perturbation theory we find energy surfaces in reasonable quantitative agreement with t he exact results, thus demonstrating that the OPM allows a seamless descrip tion of van der Waals bond systems.