English

Derivation of the Density Functional via Effective Action

Other Condensed Matter 2010-09-20 v3

Abstract

A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant e2e^2 (or correlation), this work provides a firm basis for first-principles calculations. Using the auxiliary field method, in which e2e^2 need not be small, we show that the bosonic loop expansion of the exchange-correlation functional can be reorganized so as to be expressed entirely in terms of the Kohn-Sham single-particle orbitals and energies. The excitations of the many-particle system can be obtained within the same formalism. We also explicitly demonstrate at zero-temperature the single-particle limit, the weak-coupling limit of the energy functional, and its application to homogeneous electron gas.

Keywords

Cite

@article{arxiv.0910.0670,
  title  = {Derivation of the Density Functional via Effective Action},
  author = {Yi-Kuo Yu},
  journal= {arXiv preprint arXiv:0910.0670},
  year   = {2010}
}

Comments

83 pages; added section; corrected typos; added references

R2 v1 2026-06-21T13:53:59.479Z