Average wave function method for gas-surface scattering

Harjinder Singh, Dalcio K. Dacol, Herschel Albert Rabitz

Research output: Contribution to journalArticle

15 Scopus citations

Abstract

The average wave function method (AWM) is applied to scattering of a gas off a solid surface. The formalism is developed for both periodic as well as disordered surfaces. For an ordered lattice an explicit relation is derived for the Bragg peaks along with a numerical illustration. Numerical results are presented for atomic clusters on a flat hard wall with a Gaussian-like potential at each atomic scattering site. The effect of relative lateral displacement of two clusters upon the scattering pattern is shown. The ability of AWM to accommodate disorder through statistical averaging over cluster configurations is illustrated. Enhanced uniform backscattering is observed with increasing roughness on the surface.

Original languageEnglish (US)
Pages (from-to)1852-1862
Number of pages11
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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