dc.contributor.author | Ullrich, Carsten A. | eng |
dc.date.issued | 2005 | eng |
dc.description | URL:http://link.aps.org/doi/10.1103/PhysRevB.72.073102
DOI:10.1103/PhysRevB.72.073102 | eng |
dc.description.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, 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. | eng |
dc.description.sponsorship | This work was supported in part by DOE Grant No. DEFG02-04ER46151. | eng |
dc.identifier.citation | Phys. Rev. B 72, 073102 (2005) | eng |
dc.identifier.issn | 1098-0121 | eng |
dc.identifier.uri | http://hdl.handle.net/10355/7610 | eng |
dc.language | English | eng |
dc.publisher | American Physical Society | eng |
dc.relation.ispartofcollection | University of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publications | eng |
dc.subject | local density approximation | eng |
dc.subject | gradient and other corrections | eng |
dc.subject | band and itinerant models | eng |
dc.subject.lcsh | Density functionals | eng |
dc.subject.lcsh | Density | eng |
dc.subject.lcsh | Approximation theory | eng |
dc.subject.lcsh | Conjugate gradient methods | eng |
dc.subject.lcsh | Magnetism, Band theory of | eng |
dc.title | Nonuniqueness in spin-density-functional theory on lattices | eng |
dc.type | Article | eng |