Abstract
An effective equation of motion (EEM) for gas particles interacting with a solid surface is derived. The derivation is based on the equivalent harmonic chain representation (EHCR) which was proved to correctly represent the motion of the crystal atoms in processes involving gas-surface interactions. Both approaches are applied to a one-dimensional model of rare gas atom scattering from a silver surface. Comparison of the results obtained by the EHCR and EEM method show an excellent agreement. It is suggested that the EEM approach is capable of reliably describing the dynamics of large systems for which computations using the EHCR are too time consuming.
| Original language | English |
|---|---|
| Pages (from-to) | 7181-7188 |
| Number of pages | 8 |
| Journal | Journal of Chemical Physics |
| Volume | 86 |
| Issue number | 12 |
| DOIs | |
| State | Published - 1 Jan 1986 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry