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Electron scattering with methane molecules at 20--500 eV

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.447703· OSTI ID:6741713
We report quantum mechanical calculations of the differential, momentum transfer, and integral cross sections for electron-CH/sub 4/ elastic scattering in the energy range 20--500 eV. The e/sup -/-CH/sub 4/ interaction term is composed of three local spherical potentials, namely, the static, the exchange, and the polarization. The static potential is generated without additional approximations from near-Hartree--Fock methane wave functions; the exchange interaction is included in the free-electron-gas-exchange (FEGE) model; and for polarization, we employ a parameter-free ab initio potential of Jain and Thompson. All the cross sections are in good accord with recent absolute experiments.
Research Organization:
Department of Applied Maths and Theoretical Physics, The Queen's University of Belfast, Belfast BT7 1NN, Northern Ireland
OSTI ID:
6741713
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 81:2; ISSN JCPSA
Country of Publication:
United States
Language:
English