Easily Implementable Nonlocal Exchange-Correlation Energy Functional
- 10 August 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 47 (6) , 446-450
- https://doi.org/10.1103/physrevlett.47.446
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.
Keywords
This publication has 21 references indexed in Scilit:
- Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that worksPhysical Review B, 1980
- The gradient approximation to the exchange-correlation energy functional: A generalization that worksSolid State Communications, 1979
- Exchange-correlation energy of a metallic surface: Wave-vector analysisPhysical Review B, 1977
- Green function theory of an electron gas with surface. III. Exchange and correlation effectsJournal of Physics C: Solid State Physics, 1976
- Effect of velocity-dependent screening on the form factors for transport propertiesPhysical Review B, 1976
- Gradient Corrections in the Exchange and Correlation Energy of an Inhomogeneous Electron GasPhysical Review Letters, 1975
- Exchange-correlation in inhomogeneous systems— a comment on the surface energy problemSolid State Communications, 1975
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Correlation Energy of a Free Electron GasPhysical Review B, 1958
- The description of collective motions in terms of many-body perturbation theory. II. The correlation energy of a free-electron gasProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1958