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Photoionization of closed-shell atoms: Hartree–Fock calculations of orientation and alignment

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Kleiman,  Ulrich
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Kleiman, U., & Lohmann, B. (2003). Photoionization of closed-shell atoms: Hartree–Fock calculations of orientation and alignment. Journal of Electron Spectroscopy and Related Phenomena, 131-132, 29-50. doi:10.1016/S0368-2048(03)00034-3.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-1083-2
Abstract
A complete theoretical study of the orientation and alignment parameters 10 and is provided for the single photoionization of atoms with the ground state 1S0. That is, the elements Ne, Mg, Ar, Ca, Zn, Kr, Sr, Pd, Cd, Xe, Ba, Yb, Hg, Rn, Ra and No and all possible vacancies from 2p1/2 up to 6p3/2 have been investigated. The numerical calculations have been done by applying a relaxed orbital method within a single-configurational Hartree–Fock approach where mass-velocity and Darwin contributions have been accounted for. Kinetic energies of the emitted photoelectron up to at least 20 Rydbergs (272 eV) have been considered. The accuracy of the numerical results is assessed from a comparison with experimental data.