Abstract

Based on the facts that the potential energy curves of the homo-nuclear group 2 dimers (group IIA metal), except Be2, are conformal, and they can be described by the Tang–Toennies potential model, a set of simple combining rules are proposed for the parameters of the reduced potentials of the hetero-nuclear dimers. Together with the well-established combining rules of the range parameters of the exponential repulsion and the known dispersion coefficients, these rules enable us to determine the ground state potential energy curves of MgCa, MgSr, MgBa, CaSr, CaBa, and SrBa from those of Mg2, Ca2, Sr2, and Ba2. The determined potentials are comparable to some ab initio calculations and in excellent agreement with the experiment.

Full Text
Paper version not known

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 call

Disclaimer: 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.