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The Journal of Chemical Physics

Comment on ‘‘A theoretical study of coherence effects in charge transfer collisions: Application to Na+Li+’’

Ingolf Volker Hertel, Hartmut Schmidt

Published Oct 1, 1984• 4 citations
Publisher

Abstract

The theortical study of Orel and Kulander, regarding charge exchange collisions of excited alkali atoms is commented upon. It is noted that theoretical results can be better correlated to experimental ones if reported in terms of amplitudes and phase factors, or in terms of collisional density matrix elements. (AIP)
DOI
10.1063/1.448008

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Abstract We study theoretically interaction potentials and low-energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems such as X + Y + , where X( Y + ) is either Li(Cs + ) or Cs(Li + ), Na(Cs + ) or Cs(Na + ) and Li(Rb + ) or Rb(Li + ). We calculate the molecular potentials of the ground and first two excited states of these three systems using a pseudopotential method and compare our results with those obtained by others. We derive ground-state scattering wave functions and analyze the cold collisional properties of these systems for a wide range of energies. We find that, in order to get convergent results for the total scattering cross sections for energies of the order 1 K, one needs to take into account at least 60 partial waves. The low-energy scattering properties calculated in this paper may serve as a precursor for experimental exploration of quantum collisions between an alkali atom and an alkali ion of a different nucleus.
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