Studies On The Fundamental Properties Of Ionized Atom

Ionized atoms are abundant in nature,of which the studies on the basic properties play an important role in many physical problems,especially in astrophysics,controlled fusion and other frontier sciences.In this work,we applied Dirac-Slater method(i.e.,Relativistic Self-consistent Field method,RSCF)or Dirac-Fock method if necessary to study the ground electronic configurations of all neutral and ionized atoms(2?Z?119)and the orbital competition of atoms systematically.During the research,we coincidentally found the interesting features of ionization potentials for neutral atoms.Therefore,ionization potentials of all occupied orbitals for the elements with atomic number(Z?119)are calculated by the RSCF method systematically and are plotted in a figure.And,we demonstrate the interesting features of the IPs.Based on the studies on the ionized atoms,many physical problems can be solved,such as interaction of electron and ion,which is supposed to meet great requirement for related field.The contents are as follows.(1)Based on Dirac-Slater method,we calculate the ground electronic configurations of all neutral and ionized atoms along the periodic table(2?Z?119).We summarize the situation of orbital competition for elements of different zones and demonstrate its'rules according to the local self consistent potential of ionized atoms.Based on the above,we demonstrate the relations between the element property and the orbital competition.Based on the ground electronic configuration of the ionized atoms we calculated,energy level and transition probability of related atoms can be calculated by further precise calculation,which then can meet the need of experimental analysis of high power free electronic laser and fine measurement of atomic nuclear mass.(2)With Dirac-Slater methods(i.e.,mean field theory),IPs of all occupied orbitals for elements with atomic number(Z?119)are calculated conveniently and systematically.By comparing with available experimental measurements,the theoretical accuracies of IPs for various occupied orbitals are ascertained.The map of the inner orbital IPs with good accuracies should be useful to select X-ray energies for element analysis.Based on systematic variations of the 1st IPs for the outer most orbitals in good agreement with experimental values,mechanisms of electronic configurations of all atomic elements(Z?119)along the periodic table are elucidated.It is interesting to note that there exists some deficiencies of the intermediate orbital IPs,which are due to electron correlations and should be treated beyond the mean field theory.(3)Finally,we take e+O~+as example to explore the properties of excited state of O.With our extending relativistic R-matrix method(R-R-eigen),we can study the related physical properties of J~?=1-partial wave of e+O~+in both discrete and adjacent continuum energy regions,which is supposed to meet the grate requirement for the related field.