Theoretical Studies On The R-branch Transition Spectra Of High-lying Rovibronic States Of NaAs And SbNa Molecules

Alkali metal diatomic molecule are another research hotspot after alkali metal atomic spectroscopy,because of their unique physical and chemical properties and relatively simple molecular structure.In this work,the R-branch emission spectra of(0-0)band of theA₃0⁺?X ₂1 transition of NaAs molecule and the R-branch emission spectra of(0,0)band of theA₂1?X₂1 transition of SbNa molecule are calculated by using the difference converging method(DCM),which can predict the high-lying transitional emission spectral lines with only 11 sets of known accurate experimental data.What's more,the error between the calculated values and the real values are quantitatively predicted based on the principle of overdetermined linear equations.Through a series of analysis and discussion,the results show that:(1)For the R-branch of NaAs and SbNa molecular systems,the 11 sets of transition lines with the most information and the least error can be selected from the limited experimental data by using the difference convergence method.Based on these 11 sets of data,we can predict the R-branch high-lying transition emission spectral lines of(0-0)band of theA₃0⁺?X ₂1 transition of NaAs molecule and the R-branch high-lying transition emission spectral lines of(0,0)band of theA₂1?X₂1transition of SbNa molecule.(2)Based on the principle of overdetermined linear equations,the error(35)dbetween the calculated value and the real value can be quantitatively analyzed,the calculation results also verify the accuracy of using the difference convergence method to predict the transition line data of R-branch of NaAs and SbNa molecular systems.(3)By using the difference convergence method and the principle of overdetermined linear equations,the R-branch system of NaAs and SbNa molecular systems are predicted,the obtained data provide valuable theory support for the study of NaAs and SbNa molecules in related disciplines.This paper is divided into five parts.In the first part,the significance,purpose,research progress and the research content of this paper are introduced;the second part briefly describes the theoretical basis and research methods of the transition lines of diatomic molecules;the third part briefly introduces the difference convergence method and the method of quantitative analysis of calculation error;in the fourth part,the R-branch high-lying transitional emission spectral of the partial electronic states of NaAs and SbNa are studied by using the difference convergence method;the fifth part summarizes the work of this paper.