SCT89: a computer code for atomic and molecular scattering from clean and adsorbate covered surfaces

Abstract We present the first version of SCT89, a general user-friendly program for performing molecular dynamics simulations of processes on metal surfaces. Incorporation of the recently developed MD/MC-CEM potential energy surface allows us to consistently treat systems containing up to four chemically distinct types of atoms. Techniques to efficiently calculate the interatomic forces from this complicated potential function are discussed in detail. Features such as interactively prompting for input... Title of program: SCT89 Catalogue Id: ACHV_v1_0 Nature of problem Dynamics of atoms and molecules interacting with clean and adsorbate covered metal surfaces. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000A CORRECTION 19/07/93" "Unpublished correction to SCT89: a computer code for atomic and molecular scattering from clean and adsorbate covered surfaces." D.E. Sanders; M.S. Stave; L.S. Perkins; A.E. DePristo Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACHV_v1_0; SCT89; 10.1016/0010-4655(92)90118-I This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)