Derivation of the Density Functional Theory from the Cluster Expansion

J. Y. Hsu
Phys. Rev. Lett. 91, 133001 – Published 24 September 2003

Abstract

The density functional theory is derived from a cluster expansion by truncating the higher-order correlations in one and only one term in the kinetic energy. The formulation allows self-consistent calculation of the exchange correlation effect without imposing additional assumptions to generalize the local density approximation. The pair correlation is described as a two-body collision of bound-state electrons, and modifies the electron- electron interaction energy as well as the kinetic energy. The theory admits excited states, and has no self-interaction energy.

  • Received 24 April 2003

DOI:https://doi.org/10.1103/PhysRevLett.91.133001

©2003 American Physical Society

Authors & Affiliations

J. Y. Hsu

  • National Center for High Performance Computing, HsinChu, Taiwan

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Issue

Vol. 91, Iss. 13 — 26 September 2003

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