Theoretical Studies On The Full Vibration Energies And Analytic Potential Function Of Some Electronic States In Na⁸⁵Rb And KRb Molecules

In this paper,some electronic states of Na⁸⁵Rb and KRb molecules have been studied theoretically.Na⁸⁵Rb and KRb molecules have received extensive attention and research since they are rich in fine structure,from which detailed information about the internal spin-orbit interaction of these molecules can be achieved.In addition,they are the alkali metal polar molecules and have considerable permanent electric dipole moments that allow them to be manipulated by an external electric field.Both experimentally and theoretically,these researches are useful in investigation of scattering length of cold molecules,spectrum of photo-associated cold molecules,electronic state transition spectrum,the collision dynamics of alkali metal atoms,adiabatic potential,Bose-Einstein condensation(BEC)and other fields.However,there are some limitations in the experiment,for example,affected by the experimental accuracy and noise,as well as the influence of the laser tuning range,the accuracy of the measured vibration energies will be reduced.On the other hand,during scientific experiments,the high-lying vibration energies may not be unambiguously recorded because of their weakness and extreme overlapping for Na⁸⁵Rb and KRb molecules.Therefore,Sun's group proposed an economical and effective theoretical method—Variation Algebraic Energy Consistent Method,to study the full vibrational energies and analytical potential function.A new spectroscopic and analytical potential energy function(APEF)investigation on the¹4(?)electronic state of KRb and 2³(?)⁺,X¹(?)⁺ electronic states of Na⁸⁵Rb molecule have been studied theoretically.This research is conducted by using the 4-terms Variation Algebraic Energy Consistent Method(with the variable parameter?).The full vibrational energies of these three electronic states are used in a global linear reduction to molecular vibrational constants.The potential curves and the vibrational dynamic constant f_n are calculated by using these vibrational spectrum constants,and the precise values for the long-range parameters and the dissociation energy have been derived.The results of this study also provide valuable reference data for other research fields of Na⁸⁵Rb and KRb alkali metal diatomic molecules.This article consists of 4 parts.Section 1 introduces the research's significance,methods and current status of alkali metal diatomic molecules;Section 2 introduces the VAM method and its application in detail;Section 3 introduces the VAECM method and its application in detail;Section 4 comes to the conclusion.