English

Implicit Density Functional Theory

Chemical Physics 2009-10-17 v1 Atomic and Molecular Clusters Computational Physics

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 non-interacting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.

Keywords

Cite

@article{arxiv.physics/0604128,
  title  = {Implicit Density Functional Theory},
  author = {Bin Liu and Jerome K. Percus},
  journal= {arXiv preprint arXiv:physics/0604128},
  year   = {2009}
}

Comments

9 pages, 4 figures