NaAs材料分子R线系高激发量子态跃迁谱线研究  

Studies on the High-lying R-branch Transitional Spectra of NaAs Molecule

作　　者：胡处平 樊群超 付佳 詹杰 张春国 HU Chuping;FAN Qunchao;FU Jia;ZHAN Jie;ZHANG Chunguo(School of Science,Key Laboratory of High Performance Scientific Computation,Xihua University,Chengdu 610039 China)

机构地区：[1]西华大学理学院,高性能科学计算重点实验室,四川成都610039

出　　处：《西华大学学报（自然科学版）》2018年第2期99-107,共9页Journal of Xihua University:Natural Science Edition

基　　金：教育部“春晖计划”项目(Z2016159,Z2016160)

摘　　要：基于课题组前期建立的差分收敛法(DCM)中的微分思想,从双原子分子R线系跃迁能量的经典表达形式出发,推导获得仅需11条已知精确的R支跃迁谱线数据,精准预测出该线系实验上难于测量的高激发量子态跃迁谱线的新解析表达式。利用新解析式,重点研究了NaAs材料分子在其电子态A30+→X10+的(0,0)跃迁带的R线系跃迁谱线,不仅获得了实验上没能给出的该跃迁带部分低激发振转态的跃迁谱线数据,还预测了包含转动量子数J=80在内的高激发量子态跃迁谱线。本研究为进一步认识NaAs材料分子的微观结构提供了大量重要的结构信息。A new analytical formula is derived from the conventional expression of R-branch transitional energies for diatomic molecule based on the difference converging method(DCM)that was established in our previous work.By using the new formula,onlya set of 11 known R-branch experimental transitionspectral linesare needed to predict correctly high-lying transitional spectra that may not be available experimentally.In this work,the R-branch spectral data of(0,0)band in the A 30+→X 10+transitional system of NaAs moleculewas studied.The results not only obtained some unknown low-lying transitional spectra,but also correctly predicted the high excited states transitional lines including rotational quantum number up to J=80.Furthermore,a lot of important structural information were provided to further understanding the microstructure of the NaAs material for the relevant research field.

关 键 词：NaAs R线系 跃迁谱线 DCM 

分 类 号：O561.3[理学—原子与分子物理]