The Schwinger variational method in electron-atom and electron-molecule scattering theory with polarisation

M. Berman*, U. Kaldor

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Article number023
Pages (from-to)3993-4005
Number of pages13
JournalJournal of Physics B: Atomic and Molecular Physics
Volume14
Issue number20
DOIs
StatePublished - 1981

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