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Title: Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range

Abstract

The linewidths and energies of 4d holes (main lines in x-ray photoelectron spectra) are calculated for a number of elements in the range /sub 70/Yb to /sub 92/U, with use of nonrelativistic atomic many-body theory. The nonrelativistic Hartree-Fock frozen-core approximation for one-electron wave functions and Auger energies gives very good agreement with experiment. In the case of 4s and 4p holes, the Auger (in particular, super-Coster-Kronig) energies have to be calculated with inclusion of relaxation and relativistic effects. Combined with frozen-core, nonrelativistic one-electron wave functions, this gives good agreement with experimental energies and widths for 4s and 4p holes in /sub 80/Hg. In conclusion, it is very important to include the effects of two final-state holes on the Auger electron, as well as the polarization response which screens the Auger emission matrix element. This latter effect is largely equivalent to the so-called exchange interaction between the Auger electron and the final-state holes.

Authors:
;
Publication Date:
Research Org.:
Institute of Theoretical Physics, Chalmers University of Technology, S-41296 Goeteborg, Sweden
OSTI Identifier:
5895498
Resource Type:
Journal Article
Journal Name:
Phys. Rev. A; (United States)
Additional Journal Information:
Journal Volume: 31:4
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ELEMENTS; LINE WIDTHS; PHOTOELECTRON SPECTROSCOPY; ATOMIC NUMBER; AUGER EFFECT; COSTER-KRONIG TRANSITIONS; ELECTRONIC STRUCTURE; ENERGY LEVELS; HARTREE-FOCK METHOD; HOLES; N SHELL; WAVE FUNCTIONS; X RADIATION; ELECTROMAGNETIC RADIATION; ELECTRON SPECTROSCOPY; ENERGY-LEVEL TRANSITIONS; FUNCTIONS; IONIZING RADIATIONS; RADIATIONS; SPECTROSCOPY; 640302* - Atomic, Molecular & Chemical Physics- Atomic & Molecular Properties & Theory

Citation Formats

Ohno, M, and Wendin, G. Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range. United States: N. p., 1985. Web. doi:10.1103/PhysRevA.31.2318.
Ohno, M, & Wendin, G. Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range. United States. https://doi.org/10.1103/PhysRevA.31.2318
Ohno, M, and Wendin, G. 1985. "Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range". United States. https://doi.org/10.1103/PhysRevA.31.2318.
@article{osti_5895498,
title = {Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range},
author = {Ohno, M and Wendin, G},
abstractNote = {The linewidths and energies of 4d holes (main lines in x-ray photoelectron spectra) are calculated for a number of elements in the range /sub 70/Yb to /sub 92/U, with use of nonrelativistic atomic many-body theory. The nonrelativistic Hartree-Fock frozen-core approximation for one-electron wave functions and Auger energies gives very good agreement with experiment. In the case of 4s and 4p holes, the Auger (in particular, super-Coster-Kronig) energies have to be calculated with inclusion of relaxation and relativistic effects. Combined with frozen-core, nonrelativistic one-electron wave functions, this gives good agreement with experimental energies and widths for 4s and 4p holes in /sub 80/Hg. In conclusion, it is very important to include the effects of two final-state holes on the Auger electron, as well as the polarization response which screens the Auger emission matrix element. This latter effect is largely equivalent to the so-called exchange interaction between the Auger electron and the final-state holes.},
doi = {10.1103/PhysRevA.31.2318},
url = {https://www.osti.gov/biblio/5895498}, journal = {Phys. Rev. A; (United States)},
number = ,
volume = 31:4,
place = {United States},
year = {Mon Apr 01 00:00:00 EST 1985},
month = {Mon Apr 01 00:00:00 EST 1985}
}