van der Waals Energies in Density Functional Theory
- 11 May 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 80 (19) , 4153-4156
- https://doi.org/10.1103/physrevlett.80.4153
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.Keywords
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