Dynamics Simulations and Projective Models

A fundamental requirement on all of the computational studies on metal surface dynamics is fhe need fo perform simulafions with realistic potentials and in a feasible amounf of fime. To this end, the temperature-accelerated dynamics method [14,74,75] has arisen as a possible approach for reaching the latter limit. With the exception of quanfum simulations, most classical simulations are based on semiempirical potentials derived either from the embedded atom method or effective medium theory [76-78]. However a recent potential energy surface for hydrogen on Cu(l 10) based on density functional theory calculations produced qualitatively different results from those of the embedded atom method including predictions of differenf preferred binding sites [79]. 

This assumption is similar to the adiabatic approximation in which the bath is assumed to instantaneously respond to the motions of fhe subsysfem. 

Current research efforts have largely been driven by experimental methods capable of creating and probing structures at ever smaller scales. Soon it should be possible to perform detailed classical simulations of sysfems fhat are of fhe 

---