Potential energy surfaces for the dynamics of elementary gas-surface processes

Abstract

A short review of current methods for the construction of adiabatic potential energy surfaces, fundamental to rationalize the dynamics of reactive elementary gas-surface processes, is presented. Analytical fitting schemes (e.g., periodic LEPS, reactive bond-order,...) as well as numerical interpolation schemes (e.g., corrugation reducing procedure, neural networks,...) are summarized and discussed. © Springer-Verlag Berlin Heidelberg 2013.Peer Reviewe