Variational principle for quasibound states

Piotr Froelich and Erkki Brändas
Phys. Rev. A 12, 1 – Published 1 July 1975
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Abstract

A minimum-variance principle for quasibound states is defined and utilized to investigate the corresponding energy resonances. The variational principle yields simultaneously a resonance energy E and a square-integrable wave function ϕ, such that minimum variance is obtained for arbitrary variations of a restricted class of square-integrable functions as well as with respect to variations of E. It is further shown that the optimum energy E0 obtained from this method can simultaneously be written as an expectation value of the actual Hamiltonian with respect to ϕ=ϕ(E0). The example of the Stark effect in the hydrogen atom is studied. It is shown that the variationally obtained resonance energy coincides with the real part of the complex pole of the m function of Weyl, related to the Green's function of the system under consideration. It is also shown that the corresponding numerical application of the Rayleigh-Ritz variational method only gives meaningful results for field intensities below 0.06 a.u., as compared with the "exact" results of Hehenberger, McIntosh, and Brändas.

  • Received 12 August 1974

DOI:https://doi.org/10.1103/PhysRevA.12.1

©1975 American Physical Society

Authors & Affiliations

Piotr Froelich and Erkki Brändas

  • Quantum Chemistry Group, University of Uppsala, Box 518, S-751 20 Uppsala 1, Sweden and Quantum Theory Project, Departments of Chemistry and Physics, Williamson Hall, University of Florida, Gainesville, Florida 32611

Comments & Replies

Comment on the mean-square deviation formula for autoionizing states

Cleanthes A. Nicolaides and Donald R. Beck
Phys. Rev. A 15, 1787 (1977)

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Vol. 12, Iss. 1 — July 1975

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