2026/07/29 by Dongying Li, Xiaowei Sheng
paper · doi:10.1088/1361-6455/ae8a96
Abstract Heteronuclear lithium-containing alkali dimers in their ground triplet state offer both electric and magnetic dipole moments, which arise from their unpaired electron distributions and make them suitable for exploring many-body quantum phenomena. Currently, no simple yet accurate analytical form exists to model the triplet interaction potentials of heavier Li-alkali pairs such as LiK, LiRb and LiCs. The Sheng-Tang–Toennies(STT) potential, containing merely two fitting parameters, has earlier successfully reproduced the lowest triplet potential curve of Li 2 and LiNa. In this work, we extend its application to predict the a 3 Σ + state interactions for the three dimers LiK, LiRb, and LiCs. The derived analytical potentials agree closely with high-level a b i n i t i o benchmarks and existing spectroscopic measurements over the complete range of internuclear separations. Our findings verify the robustness and portability of the STT model for representing triplet state potentials across heteronuclear alkali dimers that include lithium.