Theoretical study of laser cooling of the TlF+ molecular ion

W Chmaisani, S Elmoussaoui - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The feasibility of the thallium monofluoride TlF+ molecular ion towards laser cooling is
brought into focus through an electronic structure study. Ab initio calculations are carried out …

Extensive spin–orbit multi-reference study on low-lying electronic states of HgI

S Zhao, X Mo, R Li, H Guo, B Yan - Journal of Quantitative Spectroscopy …, 2022 - Elsevier
The multireference configuration interaction (MRCI) method with inclusion of Davidson
correction (+ Q) and spin-orbit coupling (SOC) effects is adopted to compute the electronic …