Semiclassical approximations for low-energy inelastic scattering
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