Symmetry-adapted BCS-type trial wave functions for mesoscopic rings

Ioan Bâldea, Horst Köppel, and Lorenz S. Cederbaum
Phys. Rev. B 63, 155308 – Published 27 March 2001
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Abstract

In mesoscopic systems, the symmetry of the wave function cannot be broken and must be considered. We construct symmetry-adapted trial wave functions of the Bardeen-Cooper-Schrieffer-type for mesoscopic rings described by an extended-Hubbard model at half-filling. The comparison with exact numerical (Lanczos) diagonalization in small rings indicates that this variational approach is reasonably accurate. Within this approach, we demonstrate a crossover from a weak-correlation regime to a strong correlation one. Particularly interesting is the behavior of the lowest-excitation energy, which switches from a highest-occupied-molecular-orbital–lowest-unoccupied-molecular-orbital gap to a splitting energy related to a collective tunneling of electrons.

  • Received 21 December 2000

DOI:https://doi.org/10.1103/PhysRevB.63.155308

©2001 American Physical Society

Authors & Affiliations

Ioan Bâldea1,2,*, Horst Köppel2, and Lorenz S. Cederbaum2

  • 1Physikalisches Institut, Universität Karlsruhe (TH), D-76129 Karlsruhe, Germany
  • 2Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Germany

  • *Permanent address: Institute for Space Sciences, National Institute for Lasers, Plasmas and Radiation Physics, Bucharest-Măgurele, Romania. Email address: ioan@tc.pci.uni-heidelberg.de

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Vol. 63, Iss. 15 — 15 April 2001

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