Abstract
Langreth and Mehl (LM) and co-workers have developed a useful spin-density functional for the correlation energy of an electronic system. Here the LM functional is improved in two ways: (1) The natural separation between exchange and correlation is made, so that the density-gradient expansion of each is recovered in the slowly varying limit. (2) Uniform-gas and inhomogeneity effects beyond the randomphase approximation are built in. Numerical results for atoms, positive ions, and surfaces are close to the exact correlation energies, with major improvements over the original LM approximation for the ions and surfaces.
Keywords
IonLimit (mathematics)PhysicsFermi gasCorrelationLocal-density approximationEnergy (signal processing)Atomic physicsElectronDensity functional theoryEnergy functionalElectronic correlationQuantum mechanicsMathematical analysisMathematics
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Publication Info
- Year
- 1986
- Type
- article
- Volume
- 33
- Issue
- 12
- Pages
- 8822-8824
- Citations
- 18467
- Access
- Closed
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Cite This
John P. Perdew
(1986).
Density-functional approximation for the correlation energy of the inhomogeneous electron gas.
Physical review. B, Condensed matter
, 33
(12)
, 8822-8824.
https://doi.org/10.1103/physrevb.33.8822
Identifiers
- DOI
- 10.1103/physrevb.33.8822