Average wave function method for gas-surface scattering

Harjinder Singh, Dalcio K. Dacol, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

15 Scopus citations


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
Issue number3
StatePublished - 1986

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Average wave function method for gas-surface scattering'. Together they form a unique fingerprint.

Cite this