A computational study of the low-lying electronic states of diatomic beryllium bismuthide

Yu, Hong-Yang; Qing-Long, Wang; Wu, Jin-Peng; Hu, Zhuo-Jin; Jiang, Rong-Yao; Zhang, Chuanzhao; Jin, Yuanyuan; Chen, Shanjun; Li, Song

doi:10.1016/j.jqsrt.2022.108343

Cited by 3 publications

(1 citation statement)

References 29 publications

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“…The PECs of interested electronic states are fitted by the Murrell-Sorbie potential energy function [117], which has been used in previous investigations of several antimonyand bismuth-containing diatomics [118][119][120][121][122][123][124]. The vibrational energy levels, and rotational and centrifugal distortion constants of all bound electronic states are calculated by solving the one-dimensional Schrödinger equation of nuclear motion, with the aid of the LEVEL [125] program.…”

Section: Methodsmentioning

confidence: 99%

A spin–orbit configuration interaction study of the low-lying electronic states of the diatomic lithium antimonide cation

Jiang

et al. 2023

J. Phys. B: At. Mol. Opt. Phys.

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High-level ab initio calculations were performed to determine the structural features, electronic characteristics, and transitional properties of LiSb+, which is a hitherto experimentally unknown diatomic cation. We acquired and evaluated potential energy curves, spectroscopic constants, and vibrational energy levels for low-lying Λ-S electronic states and their related Ω states. The spin-orbit coupling effect has a slight impact on these states. The transitional properties, such as transition dipole moments, Einstein coefficients, Franck-Condon factors and vibrational branching ratios, as well as the radiative lifetimes of transitions from excited Ω states to the ground state, have been identified and discussed. We anticipate that these prognostic results will act as guidelines for future research.

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