Discrete-basis-set method for electron-molecule continuum wave functions

Arne W. Fliflet, Vincent McKoy

Research output: Contribution to journalArticle

Abstract

We present a method for calculating the continuum wave function in electron-molecule scattering for an N×N discrete-basis-set representation of the potential. The method is based on the T-matrix method introduced by Rescigno, McCurdy, and McKoy. In this work, the wave function is used in a prescription for the variationally corrected partial-wave K matrix analogous to Kohn's variational formula for the scattering amplitude in three dimensions. Results presented for e - H2 scattering in the static-exchange approximation are in good agreement with other accurate calculations.

Original languageEnglish (US)
Pages (from-to)2107-2114
Number of pages8
JournalPhysical Review A
Volume18
Issue number5
DOIs
StatePublished - Jan 1 1978
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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