A Semiempirical Potential for Alkali Halide Diatoms with Damped Interactions I. Rittner Potential.

Xiaowei Sheng,Kwong Tin Tang,J. Peter Toennies

Physical chemistry chemical physics/PCCP Physical chemistry chemical physics（2022）

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摘要

Damping functions are added to the T-Rittner potential of alkali halide diatoms, with the result that the potential has a realistic repulsive potential similar to isoelectronic rare gas dimers, but orders of magnitude deeper attractive wells.

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