Abstract
An approximate quantum mechanical method is proposed for the calculation of inelastic scattering of an atom from a large anharmonic cluster or molecule. The method is based on: (a) computing the vibrational states of the cluster (or molecule) in the vibrational self-consistent field approximation; (b) treating the scattering of the atom to a first approximation as taking place from a vibrationally frozen cluster; (c) obtaining inelastic transitions by a distorted wave approximation, where the coupling is the vibrationally dependent part of the atom/cluster potential. Computationally convenient expressions are worked out. The method is applied to He scattering from Ar13 and the results are compared to experimental data for size-dispersed clusters. Good qualitative agreement is found. The merits of the proposed method compared with alternative approaches are discussed.
Original language | English |
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Pages (from-to) | 6084-6092 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 108 |
Issue number | 15 |
DOIs | |
State | Published - 15 Apr 1998 |