Average wave function method for multiple scattering

Harjinder Singh, Dalcio K. Dacol, Herschel Albert Rabitz

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

A general approximation scheme applicable to scattering of atoms and molecules off multicenter targets is proposed. The total potential is replaced by a sum of nonlocal, separable interactions. Each term in the sum projects the wave function onto a weighted average in the vicinity of a given scattering center. The resultant solution is an infinite order approximation to the true solution, and choosing the weighting function as the zeroth order solution guarantees agreement with Born approximation to second order. In addition, the approximation also becomes increasingly more accurate in the low energy long wavelength limit. A nonlinear, nonperturbative iterative scheme for the wave function is proposed. An extension of the scheme to multichannel scattering suitable for treating inelastic scattering is also presented.

Original languageEnglish (US)
Pages (from-to)1373-1378
Number of pages6
JournalThe Journal of chemical physics
Volume84
Issue number3
DOIs
StatePublished - Jan 1 1986

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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