Estimation of the ground-state potentials of alkali-metal diatomic molecules with the use of the multiparameter generalized reduced-potential-curve method

F. Jenč, B. A. Brandt, V. Špirko, and O. Bludský
Phys. Rev. A 48, 1319 – Published 1 August 1993
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Abstract

The use of the multiparameter generalized reduced-potential-curve (GRPC) method proposed in a previous article [F. Jenč, Phys. Rev. A 42, 403 (1990)] is tested on a group of eight alkali-metal diatomic molecules (for which the value of the depth of the minimum of the potential, De, and the potential up to the dissociation limit are known) in extending their ground-state potential from 45% up to the dissociation limit. For the repulsive limb, the one-parameter (α) GRPC approximation is satisfactory. Error limits of only 1–6 cm1 in energy for the attractive limb and less than 0.002 Å in the internuclear distance for the repulsive limb are obtained. The method may be used for an accurate prediction of the upper portion of the potentials (and the spectrum) of the remaining seven alkali-metal diatomic molecules where the molecular spectrum has not been measured [F. Jenč and B. A. Brandt, J. Mol. Spectrosc. 154, 226 (1992)].

  • Received 9 July 1992

DOI:https://doi.org/10.1103/PhysRevA.48.1319

©1993 American Physical Society

Authors & Affiliations

F. Jenč and B. A. Brandt

  • Department of Physics, University of Marburg, Renthof 7, D-35032 Marburg, Germany

V. Špirko and O. Bludský

  • J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Dolejškova, 3, ČR-183 23 Praha 8, Czech Republic

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Vol. 48, Iss. 2 — August 1993

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