Zero-point vibration in low-energy electron-molecule scattering theory
- 28 January 1979
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 12 (2) , L61-L65
- https://doi.org/10.1088/0022-3700/12/2/006
Abstract
The effect of taking proper account of zero-point vibration in adiabatic-nuclei calculations of cross sections for low-energy (1-10 eV) e-H2 scattering is investigated. Explicit integration over internuclear separation leads to significant changes in integral cross sections over fixed-R results, where the molecule is frozen at its equilibrium separation. Increases ranging up to 5% for elastic scattering and 40% for rotational excitation are observed, with the largest changes occurring at the lower end of the energy range. Angular distributions are also affected. Adiabatic-nuclei cross sections are in good agreement with experiment over the whole energy range.Keywords
This publication has 20 references indexed in Scilit:
- Ab initio electron-molecule scattering theory including polarisation: vibrational and vibrational-rotational excitation of H2Journal of Physics B: Atomic and Molecular Physics, 1979
- Ab initio electron-molecule scattering theory including polarisation: elastic scattering and rotational excitation of H2Journal of Physics B: Atomic and Molecular Physics, 1978
- Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. I. Close-coupling theory in the moving body-fixed framePhysical Review A, 1977
- Hybrid theory calculation of simultaneous vibration-rotation excitation in-scatteringPhysical Review A, 1976
- Hybrid theory and calculation of-scatteringPhysical Review A, 1976
- Low-energy-elastic cross sections using discrete basis functionsPhysical Review A, 1975
- Discrete-basis-set approach to nonspherical scattering. II.Physical Review A, 1974
- Polarization and Exchange Effects in Low-Energy Electron-ScatteringPhysical Review B, 1969
- Exchange effects in the rotational excitation of molecular hydrogen by slow electronsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1968
- Adiabatic Approximation for Scattering ProcessesPhysical Review B, 1956