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Phys. Rev. Lett. 91, 133001 (2003) [4 pages]

Derivation of the Density Functional Theory from the Cluster Expansion

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J. Y. Hsu
National Center for High Performance Computing, HsinChu, Taiwan

Received 24 April 2003; revised 23 June 2003; published 24 September 2003

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.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.91.133001
DOI:
10.1103/PhysRevLett.91.133001
PACS:
31.15.Ew, 31.10.+z, 71.15.Pd, 71.45.Gm