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Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities

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Il Nuovo Cimento B (1971-1996)

Summary

The fourth-order density-gradient expansion of the fermion kinetic energy contains terms which integrate over space to zero foranalytic densities, butnot for the densities of atoms or of those metal-surface models for which the expansion has been tested. Evaluation of these terms for spin-unpolarized atoms and in spin-density functional calculations for atoms, as well as for metal surfaces, show that the fourth-order expansion is not quite as accurate as it has been believed to be.

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  1. A. E. Mohammed

    Present address: Mathematics Department, Faculty of Science, Ain Shams University, Cairo, Egypt

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    Mohammed, A.E. Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities. Nuov Cim B 107, 375–383 (1992). https://doi.org/10.1007/BF02726989

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    • DOI: https://doi.org/10.1007/BF02726989

    PACS 05.30

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