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Absolute complex formation cross sections for alkali—alkali halide collisions: a Monte Carlo trajectory study
Authors:Leif Holmlid  Kjell Rynefors
Affiliation:Department of Physical Chemistry, University of Göteborg, Fack, S-402 20 Göteborg, Sweden
Abstract:A classical Monte Carlo trajectory study has been performed, where the potential energy function used is an ideal dipole potential with its center displaced from the center of mass. The potential shape depends on two parameters. For one choice of parameters, the theoretical Roach and Child surface is well approximated at large and intermediate distances. Several other choices of parameter values have also been used. Complex formation cross sections and angular distributions at the centrifugal barrier have been determined, and a comparison with the theoretical quantities for a spherically symmetric potential is made. The previously proposed mechanisms, assumed to explain the experimentally found low values of σc and the quantity of Γ, have not been found to be significant. A dynamical picture is used to interpret the present results. It also provides an interpretation of the previous experimental results. In this picture rotational energy transfer at the barrier is of great importance.
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