Van der waals energies in density functional theory

Walter Kohn, Yigal Meir, Dmitrii E. Makarov

Research output: Contribution to journalArticlepeer-review

493 Scopus citations

Abstract

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include van der Waals energies between separated systems. This paper proposes a practical procedure for remedying this difficulty. Our method allows seamless calculations between small and large intersystem distances. The asymptotic H-He and He-He interactions are calculated as a first illustration, with very accurate results.

Original languageEnglish
Pages (from-to)4153-4156
Number of pages4
JournalPhysical Review Letters
Volume80
Issue number19
DOIs
StatePublished - 1 Jan 1998

ASJC Scopus subject areas

  • General Physics and Astronomy

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