Studies Of The Basic Properties Of Ionized Atoms

This thesis discussed the basic properties and related dynamics of both isolated atoms and atoms in warm dense plasma environment as well as the application to experimental astrophysics and warm dense plasmas research.More explicitly:(1)Applying the relativistic self-consistent field method Dirac-Slater,we systematically studied the ground state properties,such as electronic structure and ionization potentials,of a vast amount of ionized atoms with atomic number Z=2-119.An orbital conflict graph is introduced to visualize all the orbital conflicts.Based on that,the relationship between the orbital conflicts and bulk properties of matter,and the treatment of electron correlations in accurate calculation of atoms and ions are also discussed.The study of the ground state properties should lay the groundwork for the further precise theoretical study of the excited states and the related various scattering processes.(2)We developed the GRASP-JT code for limited excitation energy levels concerning the target states in collisional studies as well as ab.initio relativistic eigen channel R-matrix,i.e,the R-R-eigen code for the electron excitation and scattering complex.We exhibited the merits of R-R-eigen method with the expamle of Ne+ photoionization case.Using the R-R-eigen code,we can directly calculate the short range scattering matrices with good continuation properties.By diagonalization of the scattering matrices,we can obtain the physical parameters in multichannel quantum defect theory(MQDT).By the graphical method(JHANGZ plot)to project the high dimensional parameter space into two-dimensional space,we can semi-analytically solve the MQDT equations to obtain all energy levels in discrete energy region.With the graph,we can readily check/calibrate the scattering matrices against available experimental data.Based on analytical properties of scattering matrices,the scattering matrices in autoionization energy region can also be checked/calibrated.With the checked/calibrated scattering matrices,the energy levels and related dynamical rates can be obtained with spectroscopic accuracies,therefore it should be indispensable for astrophysical and energy researches.(3)The basic properties of ionized atoms under warm dens plasmas are studied.In order to analyze the X-ray interactions with solid density warm dense plasmas,a time-space integrated model is proposed.Atomic parameters with proper environmental effects considered are calculated,with which,the simulation of the time-space integrated spectrum agrees well with the experiment.(4)When the atoms approach each other,the atomic orbitals may heavily interact with each other,forming bonding and anti-bonding molecular orbitals,therefore one should treat the atom collisions from a molecular perspective.An preliminary attempt is made to study the excited states of molecular based on the quais-complete basis method.