Electron scattering by nitrogen molecules: Theory and application to elastic scattering and rotational excitation at 30–75 eV
- 15 June 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (12), 4957-4967
- https://doi.org/10.1063/1.432146
Abstract
An effective potential model applicable to electron scattering by small or large molecules, including rotational and vibrational motions, is developed for electron scattering by N2. The INDO/1s method is used to calculate the static potential at a large number of distances and a simple model is used for the polarization potential. The rotational and vibrational matrix elements of these potentials are accurately calculated and the scattering is treated by a truncated close‐coupling expansion. With no adjustable parameters, calculated electronically and vibrationally elastic scattering cross sections are in reasonable agreement with experiment for angles 40°–50° and less at energies 30–75 eV. The rotational excitation cross sections have never been measured for N2 but are predicted to be large (as large as half the pure elastic cross sections when integrated over scattering angles and larger than the pure elastic differential cross sections at a range of large scattering angles at each energy).Keywords
This publication has 66 references indexed in Scilit:
- ErratumComputer Physics Communications, 1974
- Program ACRL to calculate differential and integral cross sections adapted to run on IBM computersComputer Physics Communications, 1974
- Program for calculating differential and integral cross sections for quantum mechanical scattering problems from reactance or transition matricesComputer Physics Communications, 1973
- A new version of the program to compute the asymptotic solution of coupled equations for electron scatteringComputer Physics Communications, 1973
- Vibrational Excitation inby Electron Impact in the 15-35-eV RegionPhysical Review A, 1972
- Asymptotic solution of coupled equations for electron scatteringComputer Physics Communications, 1969
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966
- The Polarizability and Related Properties of Molecular Hydrogen and the Diatomic Hydrogen IonThe Journal of Chemical Physics, 1935
- The large angle scattering of electrons in gases.—IIProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1932
- The elastic scattering of slow electrons in gases.—IIProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1931