Semiclassical spectra and diagonal matrix elements by harmonic inversion of cross-correlated periodic orbit sums

Jörg Main, Kirsten Weibert, Vladimir A. Mandelshtam, and Günter Wunner
Phys. Rev. E 60, 1639 – Published 1 August 1999
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Abstract

Semiclassical spectra weighted with products of diagonal matrix elements of operators Aα, i.e., gαα(E)=nn|Aα|nn|Aα|n/(EEn), are obtained by harmonic inversion of a cross-correlation signal constructed of classical periodic orbits. The method provides highly resolved semiclassical spectra even in situations of nearly degenerate states, and opens the way to reducing the required signal lengths to shorter than the Heisenberg time. This implies a significant reduction of the number of orbits required for periodic orbit quantization by harmonic inversion.

  • Received 7 December 1998

DOI:https://doi.org/10.1103/PhysRevE.60.1639

©1999 American Physical Society

Authors & Affiliations

Jörg Main1, Kirsten Weibert1, Vladimir A. Mandelshtam2, and Günter Wunner3

  • 1Institut für Theoretische Physik I, Ruhr-Universität Bochum, D-44780 Bochum, Germany
  • 2Department of Chemistry, University of California at Irvine, Irvine, California 92612
  • 3Institut für Theoretische Physik und Synergetik, Universität Stuttgart, D-70550 Stuttgart, Germany

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Vol. 60, Iss. 2 — August 1999

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