Charge‐exchange in the nonadiabatic Na/W gas‐surface reaction using a diabatic representation

Sandor Kristyan, John A. Olson

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A theoretical description of near‐resonant charge exchange is presented for gas‐surface collisions, based on the eikonal formalism, short wavelength approximation, and diabatic representation. The dynamics of the charge transfer is analyzed for the Na/W system. Accurate model diabatic potential surfaces are used to compute the charge exchange during scattering and desorption. The Pade method is applied to approximate the charge exchange probability. The derivations, developments, and comparisons of approximations of the charge‐exchange probability are discussed. These approximations are useful in experimental surface analysis to estimate the integral value of diabatic coupling between the atomic and ionic states. The frequency of oscillation during the charge‐exchange process is also discussed. Model diabatic potentials in analytic forms for the Na/W system are reported. © 1995 John Wiley & Sons, Inc.

Original languageEnglish
Pages (from-to)51-69
Number of pages19
JournalInternational Journal of Quantum Chemistry
Volume56
Issue number1
DOIs
Publication statusPublished - 1995

Fingerprint

charge exchange
Surface analysis
approximation
Charge transfer
Desorption
Scattering
Wavelength
derivation
desorption
charge transfer
formalism
oscillations
collisions
estimates
scattering
wavelengths

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Charge‐exchange in the nonadiabatic Na/W gas‐surface reaction using a diabatic representation. / Kristyan, Sandor; Olson, John A.

In: International Journal of Quantum Chemistry, Vol. 56, No. 1, 1995, p. 51-69.

Research output: Contribution to journalArticle

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