Abstract
A method of implementing the Schwinger variational expression in electron-atom and electron-molecule scattering calculations with polarisation included via an ab initio optical potential is described. The Schwinger expression is also used to obtain approximate molecular Hartree-Fock continuum orbitals at arbitrary energies which are needed to calculate the optical potential above the first electron excitation threshold. Explicit closed-form expressions of integrals required for a Gaussian orbital basis are given. The method is applied to low-energy electron-helium scattering with a second-order optical potential.
Original language | English |
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Article number | 023 |
Pages (from-to) | 3993-4005 |
Number of pages | 13 |
Journal | Journal of Physics B: Atomic and Molecular Physics |
Volume | 14 |
Issue number | 20 |
DOIs | |
State | Published - 1981 |