2026-10-14T21:42:06Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00247 2026-06-01T09:34:17Z

2026-06-01 Theoretical Study on Non-radiative and Radiative Processes in Collisions of Li+ with K(4s) doi:10.57760/sciencedb.j00213.00247 en We utilize the ab initio MRDCI method to calculate potential energy curves, radial and rotational coupling matrix elements, and transition dipole moments for the KLi+ system. Non-radiative dynamics are investigated via QMOCC and TC-AOCC methods, while radiative processes are studied using a combined framework of fully quantum, optical potential, and semi-classical methodologies.The dataset contains the calculation results of non radiative and radiative processes of Li ^+and K ($4s) collisions, including: Fig1: Adiabatic potential energy curves of KLi$^+$; Fig2: The radial and rotational coupling matrix elements among different electronic states of the KLi$^+$；Fig3： The dipole transition matrix element between the $1^2\Sigma^+$ and $2^2\Sigma^+$ electronic states of KLi$^+$；Fig4： Comparison of total non-radiative charge transfer cross sections for $\mathrm{Li^+ + K}(4s)$ collisions between theoretical calculations and experimental measurements.；Fig5： State-selective non-radiative charge transfer cross sections of $\mathrm{Li^+ + K}$ collisions for electron capture into the $3^2\Sigma^+$ and $1^2\Pi$ states.；Fig6： Variation of the transition probability $\mathcal{P}(R)$ with internuclear distance between the $1^2\Sigma^+$ and $2^2\Sigma^+$ molecular states in Li$^+$ and K collisions；Fig7： Comparison between radiative decay and non-radiative charge transfer cross sections for Li$^+$ and K collisions；Fig8：Comparison between radiative decay, radiative charge transfer and radiative association cross sections for Li$^+$ and K collisions. heavy-ion collision; charge transfer; radiative association; cross section Su Xingguang Wang Yu Hou Xiaohui Milan Yang Yukun Li Tiecheng wang kun PUBLIC https://creativecommons.org/licenses/by-sa/4.0/ dataset http://www.doi.org/10.7498/aps.75.20260560 Science Data Bank