In:
The Journal of Chemical Physics, AIP Publishing, Vol. 77, No. 8 ( 1982-10-15), p. 3953-3966
Abstract:
In this paper, we describe a new family of local integral representations for S-matrix elements. Although the historical origins of the IVR are in stationary phase semiclassical mechanics, we will show that it can be valid when the stationary phase approximation is inappropriate. Quantum mechanical corrections to the original form of the IVR are included by transforming to a representation in terms of conventional coordinates. For a simple collinear model problem, we demonstrate that this new conventional coordinate IVR is in exact agreement with the known quantum mechanical results. In the case of atom-rigid rotor scattering, the IVR can be cast as a one-dimensional integral analogous to the infinite order sudden (IOS) result. Calculations of rotational inelasticity for the He–H2 system are presented. The IVR cross sections are significantly better than the IOS values at low collision energies without requiring a substantial increase in computational effort.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
1982
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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