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High-accuracy reconstruction of titanium x-ray emission spectra, including relative intensities, asymmetry and satellites, and ab initio determination of shake magnitudes for transition metals

High resolution x-ray spectroscopy has revealed a complex structure in the spectrum of core-ionized elements. To date, theoretical reproductions must be fitted to experimental results using fitting parameters to account for transition widths, energy corrections, spectator intensities and spectator b...

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Published in:Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2013-01, Vol.46 (1), p.15002-1-7
Main Authors: Chantler, C T, Lowe, J A, Grant, I P
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Language:English
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cited_by cdi_FETCH-LOGICAL-c358t-4606cafd126c5d6e664401e629394f46914e3580bc281c39f24b2a655fa920c73
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container_title Journal of physics. B, Atomic, molecular, and optical physics
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creator Chantler, C T
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description High resolution x-ray spectroscopy has revealed a complex structure in the spectrum of core-ionized elements. To date, theoretical reproductions must be fitted to experimental results using fitting parameters to account for transition widths, energy corrections, spectator intensities and spectator broadening-up to 12 or more parameters depending on complexity. We provide here the first accurate reconstruction of the Kα spectra in titanium using only instrumental broadening widths as free parameters. We also determine structural systematics in observed shake processes in transition metals for the first time.
doi_str_mv 10.1088/0953-4075/46/1/015002
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ispartof Journal of physics. B, Atomic, molecular, and optical physics, 2013-01, Vol.46 (1), p.15002-1-7
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source Institute of Physics
subjects Ab initio calculations
Asymmetry
Atomic and molecular physics
Atomic properties and interactions with photons
Atomic spectra
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Dirac-Hartree-Fock
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
multiconfiguration
photoemission
Physics
Reconstruction
Reproduction
satellite
Spectators
Spectra
Titanium
Transition metals
x-ray
X-ray spectra
X-rays
title High-accuracy reconstruction of titanium x-ray emission spectra, including relative intensities, asymmetry and satellites, and ab initio determination of shake magnitudes for transition metals
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