Ab initio model potentials for the alkaline-earth trimers Be3, Mg3, and Ca3

Abstract

Many-body model potentials for Be3, Mg3, and Ca3 clusters have been constructed with parameters fitted to the corresponding ab initio many-body energy surfaces calculated at the MP4 (SDTQ) level. These ab initio model potentials are accurate over a wide range of atom-atom distances, and are suitable for molecular dynamics simulation, collision dynamics, and other physical applications.