原子与分子物理学报2019，Vol.36Issue(1)：11-16,6.DOI:10.3969/j.issn.1000-0364.2019.01.002
BeF+离子电子态的光谱常数研究
Study on spectroscopic properties of electronic states of BeF+ radical
摘要
Abstract
Ab initio method is used to study the spectroscopic properties of BeF+ ion. The potential energy curves of the 16 states of BeF+ ion is calculated at the icMRCI+Q/Q5+CV+DK level of theory. In order to improve the quality of the potential energy curves, core-valence correlation and scalar relativistic corrections are included in the calculations. The graphs of the potential energy curves of the sixteen states are depicted. The spectroscopic constants (De, Te, Re, ωe, ωexe, ωeye, Be, αe and βe) of the bound states are given by fitting the potential energy curve. The vibrational levels corresponding to each vibrational state are calculated separately.关键词
光谱常数/势能曲线/分子常数Key words
Spectroscopic constants/Potential energy curve/Molecular constant分类
数理科学引用本文复制引用
张如旭,孙金峰..BeF+离子电子态的光谱常数研究[J].原子与分子物理学报,2019,36(1):11-16,6.基金项目
国家自然科学基金 (11274097) （11274097）
