Variationally corrected discrete-basis-set calculation for electron-molecule scattering in the static-exchange approximation

Arne W. Fliflet, Vincent McKoy

Research output: Contribution to journalArticlepeer-review

Abstract

We present a method for including a variational correction in the discrete-basis-set method for electron-molecule scattering introduced by Rescigno, McCurdy, and McKoy. Our prescription for variationally corrected partial-wave K-matrix elements is based on Kohn's formula for the variationally stable scattering amplitude in three dimensions. The method is applied to e - H2 scattering in the static-exchange approximation, and the effect of choosing different trial basis sets is shown. Our results are in good agreement with the results of other accurate calculations.

Original languageEnglish (US)
Pages (from-to)1048-1054
Number of pages7
JournalPhysical Review A
Volume18
Issue number3
DOIs
StatePublished - 1978
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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