Study on the spectroscopy and transition properties of TeCl

Guo-Sen Wang; Chuan-Yu Zhang; Ming-Jie Wan; Jia-Yi Gong

doi:10.1016/j.saa.2022.121439

Study on the spectroscopy and transition properties of TeCl

Spectrochim Acta A Mol Biomol Spectrosc. 2022 Oct 15:279:121439. doi: 10.1016/j.saa.2022.121439. Epub 2022 May 30.

Authors

Guo-Sen Wang¹, Chuan-Yu Zhang², Ming-Jie Wan³, Jia-Yi Gong¹

Affiliations

¹ School of Mathematics and Physics, Chengdu University of Technology, Chengdu, China.
² School of Mathematics and Physics, Chengdu University of Technology, Chengdu, China. Electronic address: zhangchuanyu10@cdut.edu.cn.
³ Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin, China.

PMID: 35660150
DOI: 10.1016/j.saa.2022.121439

Abstract

For the first time, the spectroscopy data of TeCl⁺ ion and the transition data between low excited states are systematically calculated. The potential energy curves of 22 Λ-S states and 51 Ω states are calculated by the internally contracted multiconfiguration interaction and Davidson correction method. By solving the one-dimensional radial Schrödinger equation, the spectroscopy data of Λ-S states and Ω states are obtained. The phenomenon of avoided crossing in Ω state is analyzed in detail, which is mainly concentrated in the region of 20000 cm^-1 to 35000 cm^-1. The Franck-Condon factors, Einstein coefficients and spontaneous radiative lifetimes of [Formula: see text] transitions are calculated. According to the calculation results, it is preliminarily judged that the direct laser cooling of TeCl⁺ ion is not feasible.