A Spin Dependent Version of the Langreth-Mehl Exchange-Correlation Functional

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Published under licence by IOP Publishing Ltd
, , Citation C D Hu and David C Langreth 1985 Phys. Scr. 32 391 DOI 10.1088/0031-8949/32/4/024

1402-4896/32/4/391

Abstract

The exchange-correlation functional of Langreth and Mehl [Phys. Rev. B28, 1809 (1983)] is generalized to include spin dependence. It is then applied to the calculation of ground-state and electron removal energies in atoms. A functional for the correlation energy alone is also given, for use in cases where exchange can be calculated exactly.

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10.1088/0031-8949/32/4/024