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 7 LiH,including four 1∑+states and one 1Πstate,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 7 LiH,7 LiD,6 LiH,and 6 LiD.
作者
Gui-Ying Liang
Yi-Geng Peng
Rui Li
Yong Wu
Jian-Guo Wang
梁桂颖;彭裔耕;李瑞;吴勇;王建国(Institute of Applied Physics and Computational Mathematics,Beijing 100088,China;Department of Applied Physics,Nanjing University of Science and Technology,Nanjing 210094,China;Department of Physics,College of Science,Qiqihar University,Qiqihar 161006,China;HEDPS,Center for Applied Physics and Technology,Peking University,Beijing 100084,China)
基金
the National Key Research and Development Program of China(Grant No.2017YFA0402300)
the National Natural Science Foundation of China(Grant Nos.11934004 and 11604052)
the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province,China(Grant No.135409230)。
