Published November 15, 1978 | Version v1
Journal article

Semiclassical approximations for low-energy inelastic scattering

  • 1. Department of Chemistry, Yale University, New Haven, Connecticut 06520

Description

Several semiclassical methods are developed to treat low-energy vibrationally and rotationally inelastic scattering. The quantal close coupling (CC) equations are approximated by treating the orbital angular momentum in a classical limit. This removes l from the coupled equations and introduces a dependence in the potential on the classical orbital angle. Unlike the coupled states (CS) approximation, l is not frozen. Next, the rotational motion is treated in the sudden approximation. For vibrationally inelastic scattering, this yields an approximation which involves the solution of N coupled differential equations for N vibrational states. For the pure rotational case, the theory reduces to a sudden approximation superior to the current alternatives. Unlike the traditional approach, it is not a perturbation theory based on an elastic trajectory. Unlike the infinite order sudden approximation (IOS), it converges properly at large impact parameters. Indeed, the IOS is obtained as a special case by freezing the orbital motion. A fast numerical procedure is derived for evaluating the matrices occurring in the sudden approximation

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
69
Journal Issue
10
Series
J. Chem. Phys.
Journal Page Range
4495-4503

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
10434291
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ENERGY TRANSFER; INELASTIC SCATTERING; MOLECULE COLLISIONS; ROTATIONAL STATES; SEMICLASSICAL APPROXIMATION; VIBRATIONAL STATES
Descriptors DEC
COLLISIONS; ENERGY LEVELS; EXCITED STATES; SCATTERING