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Kohn-Sham Self-Consistent Scheme Applied to the Calculation of Atomic Systems and Metallic Sodium

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Computational Methods in Band Theory

Part of the book series: The IBM Research Symposia Series ((IRSS))

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Abstract

Several years ago Kohn and his collaborators1–5 proposed a new approach to study the properties of an interacting inhomogeneous electron system. It is similar in spirit to the Landau theory of Fermi liquids. Both theories try to study certain physical phenomena of an interacting Fermi system in terms of a few parameters. In a way, the two theories supplement each other. The Landau theory is after the single particle excitations, whereas the Kohn theory emphasizes the calculation of static properties and the total energy of the whole system. The basic quantity involved in the latter theory is the total electron density n(r). A review of this theory is given by Sham6 at this conference, and we shall refer the readers to his report, and to the references1–5 for the detailed description of this new approach.

Work completed at Physics Department, University of California, San Diego in 1967. It was partially supported by the U.S. Office of Naval Research.

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References

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© 1971 Plenum Press, New York

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Tong, B.Y. (1971). Kohn-Sham Self-Consistent Scheme Applied to the Calculation of Atomic Systems and Metallic Sodium. In: Marcus, P.M., Janak, J.F., Williams, A.R. (eds) Computational Methods in Band Theory. The IBM Research Symposia Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1890-3_39

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  • DOI: https://doi.org/10.1007/978-1-4684-1890-3_39

  • Publisher Name: Springer, Boston, MA

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