Phys. Rev. B 72, 073102 (2005) [4 pages]Nonuniqueness in spin-density-functional theory on latticesReceived 19 May 2005; published 2 August 2005 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, nontrivial 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. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.073102
DOI:
10.1103/PhysRevB.72.073102
PACS:
71.15.Mb, 75.10.Lp, 31.15.Ew
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