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Phys Rev Lett. 2003 Sep 26;91(13):133001. Epub 2003 Sep 24.

Derivation of the density functional theory from the cluster expansion.

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National Center for High Performance Computing, HsinChu, Taiwan.


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.

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