Molecular Opacity Calculations for Lithium Hydride at Low Temperature

• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2020,（12）
• 所属期刊栏目: ATOMIC AND MOLECULAR PHYSICS
• 页码范围: 24-30
• 页数: 7页
• 语种: 英文
• DOI: 10.1088/0256-307X/37/12/123101

摘要

The opacities of the lithium hydride molecule are calculated for temperatures of 300 K,1000 K,1500 K,and 2000 K,at a pressure of 10 atm,in which the contributions from the five low-lying electronic states are considered.The ab initio multi-reference single and double excitation configuration interaction(MRDCI)method is applied to compute the potential energy curves(PECs)of the 7LiH,including four 1∑+ states and one 1Π state,as well as the corresponding transition dipole moments between these states.The ro-vibrational energy levels are calculated based on the PECs obtained,together with the spectroscopic constants.In addition,the partition functions are also computed,and are provided at temperatures ranging from 10 K to 2000 K for 7LiH,7LiD,6LiH,and 6LiD.