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Dilatation transformation and sum rules for general potentials including self-consistent field potentials

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Abstract

The eigenfunctions and energies of general dilated Hamiltonians are expanded in powers of the dilatation parameter. These expansions, augmented by stationarity and stability conditions, are used to derive exact sum rules for bound and resonance states. Particular attention is paid to Hamiltonians with potentials which depend on external parameters, such as the nuclear coordinates in molecules, and to self-consistent potentials. The sum rules can be employed in practical computations to improve the quality of the results and may also serve in analyzing the results from approximate calculations.

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Author notes

  1. P. Winkler

    Present address: Department of Physics, University of Nevada, 89557, Reno, NV, USA

Authors and Affiliations

  1. Theoretische Chemie, Institut für Physikalische Chemie, Universität Heidelberg, D-69120, Heidelberg, Germany

    L. S. Cederbaum & P. Winkler

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  1. L. S. Cederbaum
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  2. P. Winkler
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Cederbaum, L.S., Winkler, P. Dilatation transformation and sum rules for general potentials including self-consistent field potentials. Theoret. Chim. Acta 88, 257–270 (1994). https://doi.org/10.1007/BF01113618

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  • DOI: https://doi.org/10.1007/BF01113618

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