1Key Laboratory for Laser Plasmas (Ministry of Education) and Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 2Beijing Computational Science Research Center, Beijing 100094 3Department of Physics and Center for Atomic and Molecular Nanosciences, Tsinghua University, Beijing 100084 4Department of Physics and Information Engineering, Jining University, Qufu 273155 5Collaborative Innovation Center of Quantum Matter, Beijing 100084
Abstract：The ionization potential (IP) is a basic property of an atom, which has many applications such as in element analysis. With the Dirac–Slater methods (i.e., mean field theory), IPs of all occupied orbitals for elements with atomic number ($Z\le 119$) are calculated conveniently and systematically. Compared 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 first IPs for the outermost orbitals in good agreement with experimental values as well as other IPs, mechanisms of electronic configurations of all atomic elements ($Z\le 119$) along the periodic table are elucidated. It is interesting to note that there exist some deficiencies of the intermediate orbital IPs, which are due to electron correlations and should be treated beyond the mean field theory.
Morikawa E, Roy A and Scott J 2007 Proceedings of the 14th National Conference on Synchrotron Radiation Research SRI 2007 (Baton Rouge, LA, USA, 25–27 April 2007)
Roy A, Morikawa E, Bellamy H, Kumar C, Goettert J, Suller V, Morris K, Ederer D and Scott J 2007 Nucl. Instrum. Methods Phys. Res. Sect. A 582 22
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Grant I P 2006 Relativistic Quantum Theory of Atoms and Molecules (New York: Springer)
2016, Vol. 33 
