An Efficient Method To Calculate Properties Of Atoms Using Effective One-electron Potential

Experimental and theoretical investigations of the interaction between electron and atom have been an important field of research over many years.For example,applications of electron-atom scatterings to study Rydberg molecules have become a hot topic.However,accurate investigations of electron scattering by heavy atoms in terms of many-electron wavefunction calculations are still challenging.As an alternative idea,suitable one-electron pseudo-potentials have been developed and used to predict scattering properties up to designed accuracy.This serves as a motivation for the present development of an effective one-electron model for electron-atom scatterings.This theory is based on an effective one-electron potential that can be derived from standard quantum chemistry programs.The concept is general and will be demonstrated below for electron scattered from helium and Rydberg cesium ion.The main part of this thesis includes the following three sections:First,the effective one-electron potential is represented with two parts,one is the long-range interaction of the scattered electron and target atom derived from the analytic formulae,the other is the short-range interaction of the scattered electron and target atom using standard quantum chemistry programs.Second,according to the effective one-electron potential,the scattering phase shifts of electron scattered to ground helium atom can be obtained.By fitting the gotted phase shifts to corresponing formulae,the scattering length and the total cross section will also be on hand.Third,accurate energy levels and quantum defect of Rydberg cesium atom are quite important for theoretical and experimental research,this paper calculated those properties using the effective one-electron potential.