Abstract
An exchange-correlation functional for nonuniform electronic systems is developed which provides an easily implementable correction to the local density approximation. It is applied to metallic surface energies, as well as to self-consistent atomic calculations which include the ground-state energies of a number of atoms, plus the removal energies for , , , , , , and electrons. In all cases tried a substantial improvement was found.
- Received 28 April 1981
DOI:https://doi.org/10.1103/PhysRevLett.47.446
©1981 American Physical Society