Theoretical Studies On The Analytical Potential Energy Functions And Spectral Lines Of Rovibrational Transitions Of Diatomic Systems

This thesis consists of five chapters.The first chapter briefly describes the applications of molecular spectroscopy in various fields and the significance of this study.The second chapter introduces the theoretical basis of studying the molecular spectroscopy and the theoretical and experimental methods of molecular spectroscopy in now.The third chapter elaborates the variational algebraic method(VAM)and the variational algebraic energy consistent method(VAECM)in detail respectively,and the analytical potential energy functions(APEFs)of electronic states31g(35),33g(10)(50),31g-(50)and3ub(47)of2Li molecular and electronic state2uA(47)of2N(10),the2gX(47)state of2F(10),the2uA(47)and2gX(47)states of2O(10)are also determined with corresponding adjustable parameter ? by using the VAECM based on the VAM vibrational spectra.The full vibrational energies,vibrational spectroscopic constants,force constantsnf,and expansion coefficientsna are also obtained for each electronic state in this thesis.In the fourth chapter an new analytical formula of transition spectra is derived based on the thought of difference converging method(DCM),and P-branch transitional spectral lines of(3,7)band of(7)(8)2 21 2u gA(47)-X(47)?(28)transition of35 +2Cl and35 37 Cl Cl(10)ions are researched.Base on a group of eleven known P-branch experimental transition lines for a transition band,the formula not only can accurately reproduces the transitional spectral lines of high-lying excited states,but also can calculates the rotational spectral constants of the corresponding transition bands.The fifth chapter is the summary of this thesis,the spectral line data obtained by the two methods,not only excellently agree with the experimental data,but also accurately reproduces the spectral lines of high-lying excited states,and it has better physical behavior for each electronic state of diatomic system.