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Phys. Rev. Lett. 89, 156401 (2002) [4 pages]

Degeneracy in Density Functional Theory: Topology in the v and n Spaces

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C. A. Ullrich1 and W. Kohn2
1Department of Physics, University of Missouri–Rolla, Rolla, Missouri 65409
2Department of Physics, University of California, Santa Barbara, California 93106

Received 23 April 2002; published 20 September 2002

This paper clarifies the topology of the mapping between the v and n spaces in fermionic systems. Density manifolds corresponding to degeneracies g=1 and g>1 are shown to have the same mathematical measure: Every density near a g-ensemble-v-representable (g-VR) n(r) is also g-VR (except “boundary densities” of lower measure). The role of symmetry and the connection between T=0 and T=0+ are discussed. A lattice model and the Be series are used as illustrations.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.89.156401
DOI:
10.1103/PhysRevLett.89.156401
PACS:
71.15.Mb, 31.15.Ar, 31.15.Ew, 71.10.Ca