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Phys. Rev. B 33, 8822–8824 (1986)

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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John P. Perdew
Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

See Also: Erratum

Received 10 March 1986; published in the issue dated 15 June 1986

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.

© 1986 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.33.8822
DOI:
10.1103/PhysRevB.33.8822
PACS:

See Also

Erratum: John P. Perdew, Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas, Phys. Rev. B 34, 7406 (1986).