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Phys. Rev. A 69, 052510 (2004) [6 pages]

Adiabatic connection for near degenerate excited states

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Fan Zhang
Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Road, Piscataway, New Jersey 08854-8019, USA

Kieron Burke
Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854-8019, USA

Received 25 November 2003; published 25 May 2004

In density functional theory, the adiabatic coupling may be treated perturbatively. This Görling-Levy perturbation theory can be applied to both nondegenerate and degenerate states. Formulas are given to second order. Some excitations are shown to be poorly described to first order (i.e., in exact exchange), no matter how weakly correlated the system is. Results are demonstrated on a simple model system, two fermions in a one-dimensional parabolic well with a contact interaction.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.69.052510
DOI:
10.1103/PhysRevA.69.052510
PACS:
31.15.Ew, 31.25.Jf, 31.15.Md, 71.15.Qe