Theoretical Studies Of Transition Probabilities And Energy Levels Of Some Heavier And Light Atoms

This dissertation is based on the Weakest Bound Electron Potential Theory (WBEPMT) which is proposed by Professor Zheng Neng-Wu.Within the WBEPM theory,the transition probabilities and oscillator strengths of some heavier and light atoms and ions are investigated.We also used the conceptions of spectrum-level-like series and iso-spectrum-level series to study the energy levels of some atoms.Based on the previous work,we used double generalized Laguerre polynomial to calculate the value for the ground-state energy of He atom.These work not only further prove that WBEPM theory can be successfully applied in many research field,but also provide a lot of useful atomic data for the researcher in the related research areas.Chapter 1This chapter gives a brief review about the popular methods in quantum chemistry,and introduces the main points of the WBEPM theory.Chapter 2The transition probabilities and oscillator strengths of some light atoms(B, Alâ…¢) and some heavier atoms(Tiâ…¢,Tiâ…£,Scâ…¢,and Yâ…¢) are investigated by using of the WBEPM theory.The focal point of this work is to extend the WBEPM theory to the investigation of the heavier atoms.The calculated results are compared with the accepted data which are taken from National Institute of Standards and Technology(NIST) database.The Comparison shows that our results are satisfied and most deviations are within the accepted uncertainties.Compare with other theoretical methods,our results are closer to the accepted data,and the calculation process is simpler.So we can get a conclusion that WBEPM theory is suitable for the investigation of the transition probabilities and oscillator strengths of heavier atoms.Chapter 3Based on the WBEPM theory,two different conceptions are introduced:the spectrum-level-like series and the iso-spectrum-level series.Within these two conceptions,two different methods are used to study the energy levels of atoms and ions.In the first method,within the conception of spectrum-level-like series,the energy levels of SrI and BI are calculated.The infections of perturbations caused by foreign levels are included in the calculation on the base of previous work.Our results are very accurate.Deviations between our results and the accepted values are generally less than one wave number which are much more better than other methods.In the second method,within the conception of iso-spectrum-level series, the energy levels of Be-like sequence,Na-like sequences and Al-like sequences are studied.The comparisons with accepted data and results obtained by other methods are also made.The deviations of the second method is correspondingly larger than the first method,but still at the same level with the other theoretical methods.Chapter 4In this chapter,we applied the generalized Laguerre polynomial as the basis functions and introduced the linear combination technique into WBEPM theory.He atom ground-state energy is studied by using double generalized Laguerre polynomial.The result obtained from this method is at the same level with the other theoretical methods.This work proves that the linear combination technique can be successfully applied in the WBEPM theory.