Mardi 14 octobre 1997
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. A practical procedure for remedying this difficulty will be presented.
The method allows seamless calculations between small and large inter-system distances. The asymptotic H-He and He-He interactions are calculated as a first illustration.