English

Coarse-grained spin density-functional theory: infinite-volume limit via the hyperfinite

Other Condensed Matter 2015-06-05 v2 Mathematical Physics math.MP Quantum Physics

Abstract

Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant on the cells. This coarse-grained setting facilitates a rigorous investigation of the mathematical foundations which goes well beyond what is currently possible in the conventional formualation. Problems of existence, uniqueness and regularity of representing potentials in the coarse-grained SDFT setting are here studied using techniques of (Robinsonian) nonstandard analysis. Every density which is nowhere spin-saturated is V-representable, and the set of representing potentials is the functional derivative, in an appropriate generalized sense, of the Lieb interal energy functional. Quasi-continuity and closure properties of the set-valued representing potentials map are also established. The extent of possible non-uniqueness is similar to that found in non-rigorous studies of the conventional theory, namely non-uniqueness can occur for states of collinear magnetization which are eigenstates of SzS_z.

Keywords

Cite

@article{arxiv.1206.0769,
  title  = {Coarse-grained spin density-functional theory: infinite-volume limit via the hyperfinite},
  author = {Paul E. Lammert},
  journal= {arXiv preprint arXiv:1206.0769},
  year   = {2015}
}

Comments

corrected non-propagating error in Cor. 4.2 and adopted better methods in Sec. 6B

R2 v1 2026-06-21T21:14:10.574Z