Showing papers by "K. T. Tang published in 2015"
TL;DR: The Tang-Toennies potential for the weakly interacting systems H2b(3)Σu (+), H-He (2) Σ(+), and He2 (1)(+) is extended down to the united atom limit of vanishing internuclear distance, compared with the most recent ab initio calculations.
Abstract: The Tang-Toennies potential for the weakly interacting systems H2b(3)Σu (+), H-He (2)Σ(+), and He2 (1)Σg (+) is extended down to the united atom limit of vanishing internuclear distance. A simple analytic expression connects the united atom limiting potential with the Tang-Toennies potential in the well region. The new potential model is compared with the most recent ab initio calculations for all three systems. The agreement is better than 20% (H2 and He2) or comparable with the differences in the available ab initio calculations (H-He) over six orders of magnitude corresponding to the entire range of internuclear distances.
11 citations
TL;DR: In this paper, 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 exponential repulsion and the known dispersion coefficients.
5 citations