English

Nonuniqueness in spin-density-functional theory on lattices

Mesoscale and Nanoscale Physics 2009-11-11 v1

Abstract

In electronic many-particle systems, the mapping between densities and spin magnetizations, {n(r), m(r)}, and potentials and magnetic fields, {v(r), B(r)}, is known to be nonunique, which has fundamental and practical implications for spin-density-functional theory (SDFT). This paper studies the nonuniqueness (NU) in SDFT on arbitrary lattices. Two new, non-trivial cases are discovered, here called local saturation and global noncollinear NU, and their properties are discussed and illustrated. In the continuum limit, only some well-known special cases of NU survive.

Keywords

Cite

@article{arxiv.cond-mat/0503384,
  title  = {Nonuniqueness in spin-density-functional theory on lattices},
  author = {C. A. Ullrich},
  journal= {arXiv preprint arXiv:cond-mat/0503384},
  year   = {2009}
}

Comments

4 pages, 1 figure

R2 v1 2026-07-22T11:14:54.191Z