Implicit density-functional theory

Bin Liu, Jerome K. Percus

Research output: Contribution to journalArticlepeer-review

Abstract

A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless noninteracting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.

Original languageEnglish (US)
Article number012508
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume74
Issue number1
DOIs
StatePublished - 2006

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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