Transfer matrix approach to metal surfaces vibrations

Modeling of Surface Diffusion for Stepped Surfaces: Transfer Matrix Approach

1. Introduction Surface diffusion is of considerable intrinsic interest and also important for understanding the mechanism of surface reactions [1,2]. It is well known that diffusion of chemisorbed particles occurs, as a rule, via jumps between nearest-neighbor sites and can be rather accurately described in the frameworks of the transitient state theory and lattice-gas model. For simplicity we...

Vibrations of adsorbates on metal surfaces from geometry optimizations.

We present a method to compute harmonic vibrations that uses the structures and the forces in the structures that are obtained from a geometry optimization. It does not require any additional electronic structure calculations. The method generally takes only on the order of minutes on a regular PC, but it does not guarantee the calculation of all vibrations of a system. Tests on small adsorbate...

Vibrations at surfaces.

non-corrective approach to pronunciation

the aim of this study has been to find answers for the following questions: 1. what is the effect of immediate correction on students pronunciation errors? 2. what would be the effect of teaching the more rgular patterns of english pronunciation? 3. is there any significant difference between the two methods of dealing with pronuciation errore, i. e., correction and the teaching of the regular ...

Energy Transfer between Open-Shell Species and Metal Surfaces

It is shown that the electronic friction between a metallic surface and an open-shell atom or molecule moving perpendicularly to it can be substantially enhanced under experimentally interesting conditions, due to the involvement of the Kondo or correlated mixed-valent state. The region of large friction is shifted from the point where the adsorbate resonance crosses the Fermi level to the poin...