Close-coupling calculations with an INDOX/1s static potential, semiclassical exchange, and a semi-empirical polarisation potential for electron-CO2elastic scattering and rotational excitation
- 17 January 1979
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 12 (2) , 283-290
- https://doi.org/10.1088/0022-3700/12/2/018
Abstract
A semi-empirical molecular-orbital method for modelling the effective potential for electron-molecule scattering is applied to elastic scattering and rotational excitation of CO2 at 20 eV impact energy. Agreement with experiment is reasonably good. The calculated rotationally summed integral cross section is 67.8 a02.Keywords
This publication has 15 references indexed in Scilit:
- Model potentials for electron scattering: Converged close coupling calculations for the differential cross section for e−N2 at 30–50 eVThe Journal of Chemical Physics, 1978
- Ab initio static polarisabilities of N2and linear symmetric CO2in the Hartree-Fock approximation: variation with internuclear separationJournal of Physics B: Atomic and Molecular Physics, 1977
- Low-energy electron-molecule scattering: Application of coupled-channel theory to-CcollisionsPhysical Review A, 1977
- Optical model theory of elastic electron- and positron-argon scattering at intermediate energiesJournal of Physics B: Atomic and Molecular Physics, 1977
- Electron scattering by nitrogen molecules: Theory and application to elastic scattering and rotational excitation at 30–75 eVThe Journal of Chemical Physics, 1976
- Approximations for the exchange potential in electron scatteringThe Journal of Chemical Physics, 1975
- ErratumComputer Physics Communications, 1974
- Program for calculating differential and integral cross sections for quantum mechanical scattering problems from reactance or transition matricesComputer Physics Communications, 1973
- The excitation of He+by electronsProceedings of the Physical Society, 1964
- The theory of scattering by a rigid rotatorProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1960