Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5418661 | Journal of Molecular Structure: THEOCHEM | 2006 | 4 Pages |
Abstract
Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like the local density approximation. The present paper tries to shed some light upon the best way to do it by comparing the accuracy of the local density approximation with accurate results for the He atom.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Julien Toulouse, Andreas Savin,