English

On F and E, in DFT

Other Condensed Matter 2016-06-30 v2 Mathematical Physics math.MP Quantum Physics

Abstract

Rigorous mathematical foundations of density functional theory are revisited, with some use of infinitesimal (nonstandard) methods. A thorough treatment is given of basic properties of internal energy and ground-state energy functionals along with several improvements and clarifications of known results.A simple metrizable topology is constructed on the space of densities using a hierarchy of spatial partitions. This topology is very weak, but supplemented by control of internal energy, it is, in a rough sense, essentially as strong as L1L^1. Consequently, the internal energy functional FF is lower semicontinuous with respect to it. With separation of positive and negative parts of external potentials, very badly behaved, even infinite, positive parts can be handled. Confining potentials are thereby incorporated directly into the density functional framework.

Keywords

Cite

@article{arxiv.1402.1381,
  title  = {On F and E, in DFT},
  author = {Paul E. Lammert},
  journal= {arXiv preprint arXiv:1402.1381},
  year   = {2016}
}

Comments

27 pages. An embarrassing blunder in (former) Sec. 6.5 has been corrected. With additional small changes, Secs. 6.3-6.6 have been affected. Comments and error reports welcome

R2 v1 2026-06-22T03:02:50.826Z