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Phys. Rev. Lett. 93, 173001 (2004) [4 pages]

Lack of Hohenberg-Kohn Theorem for Excited States

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R. Gaudoin and K. Burke
Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Rd., Piscataway, New Jersey 08854 USA

See Also: Publisher's Note

Received 11 April 2004; published 18 October 2004; corrected 13 January 2005

For a given excited state there exist densities that arise from more than one external potential. This is due to a qualitatively different energy-density relationship from that of the ground state and is related to positive eigenvalues in the nonlocal susceptibility for excited states. Resulting problems with the generalization of the density functional methodology to excited states are discussed.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.93.173001
DOI:
10.1103/PhysRevLett.93.173001
PACS:
31.15.Ew, 71.15.Qe

See Also

Publisher's Note: R. Gaudoin and K. Burke, Publisher's Note: Lack of Hohenberg-Kohn Theorem for Excited States [Phys. Rev. Lett. 93, 173001 (2004)], Phys. Rev. Lett. 94, 029901 (2005).