Determining bound states of Krypton in the range 22-32eV using the Dirac B-Spline atomic R-Matrix code

While the bound-states of Krypton below the first ionization threshold have been well-studied, there is little information in the literature regarding higher-energy states, typically corresponding to single-excitations from the 4s subshell, or double-excitations from the 4p subshell. Some of these high-energy states have been observed experimentally [1,2] but remain unassigned, while many more have yet to be discovered. In this work, we seek to determine bound-state energies of Krypton in the energy range 22-32eV using the Dirac B-Spline atomic R-Matrix suite of codes [3,4]. Of particular interest are the states of character 4s^-1np, and 4p⁴nln’l’. An initial atomic structure description of Kr⁺ is generated using DBSR_HF, a B-Spline Dirac-Hartree-Fock program [5]. Bound-state energies in a fully-relativistic coupling scheme are then determined using the DBSR suite.







[1] K. Coddling and R. P. Madden, J. Res. Natl. Bur. Stand. A Phys. Chem. 76A(1) (1972) 1-12

[2] M. Valin and P. Marmet, J. Phys. B 8(18) (1975) 2953–2967

[3] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701

[4] O. Zatsarinny, https://github.com/zatsaroi

[5] O. Zatsarinny and C. Froese Fischer, Comp. Phys. Commun. 202 (2016) 287-303