Abstract
A framework for constructing three- and four-body interatomic potentials is proposed. The study is motivated by a need for an understanding of the morphology of these potentials and consequently the morphology of the Born-Oppenheimer energy surface (i.e., the location of the surface minimum and saddle points). Invariant coordinate systems on the configuration space of three and four atoms are therefore developed which allow the morphology of three- and four-body terms to be chosen. Direct applications of these coordinates include the construction of interatomic potentials and an analysis of the local geometry around an atom in a crystal.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
