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KL double core hole pre-edge states of HCl

Journal article
Authors Dimitris Koulentianos
R. Puettner
G. Goldsztejn
T. Marchenko
O. Travnikova
L. Journel
R. Guillemin
D. Ceolin
M.N. Piancastelli
M. Simon
Raimund Feifel
Published in Physical Chemistry Chemical Physics
Volume 20
Issue 4
ISSN 1463-9076
Publication year 2018
Published at Department of Physics (GU)
Language en
Links dx.doi.org/10.1039/c7cp04214k
pubs.rsc.org/en/content/articleland...
https://gup.ub.gu.se/file/207262
Subject categories Atom and Molecular Physics and Optics, Physical Sciences

Abstract

The formation of double core hole pre-edge states of the form $1s^{-1}2p^{-1}(^{1,3}\text{P})\sigmaup^*,n\ell$ for HCl, located on the binding energy scale as deep as 3 keV, has been investigated by means of a high resolution single channel electron spectroscopy technique recently developed for the hard x-ray region. A detailed spectroscopic assignment is performed based on \textit{ab initio} quantum chemical calculations and by using a sophisticated fit model comprising regular Rydberg series. Quantum defects for the different Rydberg series are extracted and the energies for the associated double core hole ionization continua are extrapolated. Dynamical information such as the lifetime width of these double-core-hole pre-edge states and the slope of the related dissociative potential energy curves are also obtained. In addition, $1s^{-1}2p^{-1}V^{-1}n\ell\lambdaup n^{\prime}\ell^{\prime}\lambdaup^{\prime}$ double shake-up transitions and double core hole states of the form $1s^{-1}2s^{-1}(^{1,3}\text{S})\sigmaup^*,4s$ are observed.

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