Inner-shell photoionization and core-hole decay of Xe and XeF2

Southworth, Stephen H.; Wehlitz, Ralf; Picón, Antonio; Lehmann, C. Stefan; Cheng, Lan; Stanton, John F.

doi:10.1063/1.4922208

Title: Inner-shell photoionization and core-hole decay of Xe and XeF₂

Journal Article · Tue Jun 09 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4922208· OSTI ID:1392461

Southworth, Stephen H. ^[1]; Wehlitz, Ralf ^[2];

^[1]; Lehmann, C. Stefan ^[1]; Cheng, Lan ^[3]; Stanton, John F. ^[4]

Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Wisconsin-Madison, Stoughton, WI (United States). Synchrotron Radiation Center (SRC)
Univ. of Texas, Austin, TX (United States)
Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, USA

In this work, photoionization cross sections and partial ion yields of Xe and XeF₂ from Xe 3d_5/2, Xe 3d_3/2, and F 1s subshells in the 660–740 eV range are compared to explore effects of the F ligands. The Xe 3d-$$ϵ$$f continuum shape resonances dominate the photoionization cross sections of both the atom and molecule, but prominent resonances appear in the XeF₂ cross section due to nominal excitation of Xe 3d and F 1s electrons to the lowest unoccupied molecular orbital (LUMO), a delocalized anti-bonding MO. Comparisons of the ion products from the atom and molecule following Xe 3d photoionization show that the charge-state distribution of Xe ions is shifted to lower charge states in the molecule along with production of energetic F⁺ and F²⁺ ions. This suggests that, in decay of a Xe 3d core hole, charge is redistributed to the F ligands and the system dissociates due to Coulomb repulsion. The ion products from excitation of the F 1s-LUMO resonance are different and show strong increases in the yields of Xe⁺ and F⁺ ions. The subshell ionization thresholds, the LUMO resonance energies, and their oscillator strengths are calculated by relativistic coupled-cluster methods and agree well with measurements.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; CHE-1361031

OSTI ID:: 1392461

Alternate ID(s):: OSTI ID: 1228186

Journal Information:: Journal of Chemical Physics, Vol. 142, Issue 22; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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References (82)

Electron distribution in the xenon fluorides and xenon oxide tetrafluoride by ESCA and evidence for orbital independence in the xenon-fluorine bonding Carroll, T. X.; Shaw, R. W.; Thomas, T. D. Journal of the American Chemical Society, Vol. 96, Issue 7 https://doi.org/10.1021/ja00814a001	journal	April 1974
Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space Krylov, Anna I. Annual Review of Physical Chemistry, Vol. 59, Issue 1 https://doi.org/10.1146/annurev.physchem.59.032607.093602	journal	May 2008
Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103 Yeh, J. J.; Lindau, I. Atomic Data and Nuclear Data Tables, Vol. 32, Issue 1 https://doi.org/10.1016/0092-640X(85)90016-6	journal	January 1985
Self‐Consistent‐Field Study of the Series XeF _n , n = 2, 4, 6 Basch, Harold; Moskowitz, J. W.; Hollister, C. The Journal of Chemical Physics, Vol. 55, Issue 4 https://doi.org/10.1063/1.1676330	journal	August 1971
Quaternion symmetry in relativistic molecular calculations: The Dirac–Hartree–Fock method Saue, T.; Jensen, H. J. Aa The Journal of Chemical Physics, Vol. 111, Issue 14 https://doi.org/10.1063/1.479958	journal	October 1999
Photofragmentation of SiF4 upon Si 2p and F 1s core excitation: Cation and anion yield spectroscopy Piancastelli, M. N.; Stolte, W. C.; Guillemin, R. The Journal of Chemical Physics, Vol. 128, Issue 13 https://doi.org/10.1063/1.2851135	journal	April 2008
Coupled cluster response functions Koch, Henrik; Jo/rgensen, Poul The Journal of Chemical Physics, Vol. 93, Issue 5 https://doi.org/10.1063/1.458814	journal	September 1990
Ionization of the xenon fluorides Buth, Christian; Santra, Robin; Cederbaum, Lorenz S. The Journal of Chemical Physics, Vol. 119, Issue 15 https://doi.org/10.1063/1.1609975	journal	October 2003
Photo-double-ionization mechanisms in aromatic hydrocarbons Hartman, T.; Juranić, P. N.; Collins, K. Physical Review A, Vol. 87, Issue 6 https://doi.org/10.1103/PhysRevA.87.063403	journal	June 2013
Relativistic decay widths of autoionization processes: The relativistic FanoADC-Stieltjes method Fasshauer, Elke; Kolorenč, Přemysl; Pernpointner, Markus The Journal of Chemical Physics, Vol. 142, Issue 14 https://doi.org/10.1063/1.4917255	journal	April 2015
Coulombic Energy Transfer and Triple Ionization in Clusters Santra, Robin; Cederbaum, Lorenz S. Physical Review Letters, Vol. 90, Issue 15 https://doi.org/10.1103/PhysRevLett.90.153401	journal	April 2003
Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method Kucharski, Stanisław A.; Włoch, Marta; Musiał, Monika The Journal of Chemical Physics, Vol. 115, Issue 18 https://doi.org/10.1063/1.1416173	journal	November 2001
Analytic energy derivatives for ionized states described by the equation‐of‐motion coupled cluster method Stanton, John F.; Gauss, Jürgen The Journal of Chemical Physics, Vol. 101, Issue 10 https://doi.org/10.1063/1.468022	journal	November 1994
Many – Body Methods in Chemistry and Physics Shavitt, Isaiah; Bartlett, Rodney J. https://doi.org/10.1017/CBO9780511596834	book	January 2009
Many‐body methods for excited state potential energy surfaces. I. General theory of energy gradients for the equation‐of‐motion coupled‐cluster method Stanton, John F. The Journal of Chemical Physics, Vol. 99, Issue 11 https://doi.org/10.1063/1.465552	journal	December 1993
Theory of band shape formation in Auger and autoionization spectra of molecules. Numerical applications and new high‐resolution spectra for CO Correia, Nestor; Flores‐Riveros, Antonio; Ågren, Hans The Journal of Chemical Physics, Vol. 83, Issue 5 https://doi.org/10.1063/1.449346	journal	September 1985
Absolute photoionization cross sections with ultra-high energy resolution for Ar, Kr, Xe and N2 in inner-shell ionization regions Kato, M.; Morishita, Y.; Oura, M. Journal of Electron Spectroscopy and Related Phenomena, Vol. 160, Issue 1-3 https://doi.org/10.1016/j.elspec.2007.06.003	journal	August 2007
A study on multi-charged Xe ions formed through 3d hole states using a coincidence technique Tamenori, Y.; Okada, K.; Nagaoka, S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 35, Issue 12 https://doi.org/10.1088/0953-4075/35/12/314	journal	June 2002
On the vertical excitation energy of cyclopentadiene Bomble, Yannick J.; Sattelmeyer, Kurt W.; Stanton, John F. The Journal of Chemical Physics, Vol. 121, Issue 11 https://doi.org/10.1063/1.1780159	journal	September 2004
A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism Mukherjee, D.; Mukherjee, P. K. Chemical Physics, Vol. 39, Issue 3 https://doi.org/10.1016/0301-0104(79)80153-6	journal	June 1979
Strong Electron Correlation in Photoionization of Spin-Orbit Doublets Amusia, M. Ya.; Chernysheva, L. V.; Manson, S. T. Physical Review Letters, Vol. 88, Issue 9 https://doi.org/10.1103/PhysRevLett.88.093002	journal	February 2002
Photofragmentation of BF ₃ on B and F K -shell excitation by partial ion yield spectroscopy Guillemin, Renaud; Stolte, Wayne C.; Piancastelli, Maria Novella Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 21 https://doi.org/10.1088/0953-4075/43/21/215205	journal	October 2010
Interatomic Coulombic decay following resonant core excitation of Ar in argon dimer Miteva, T.; Chiang, Y. -C.; Kolorenč, P. The Journal of Chemical Physics, Vol. 141, Issue 6 https://doi.org/10.1063/1.4891986	journal	August 2014
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties Stanton, John F.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 98, Issue 9 https://doi.org/10.1063/1.464746	journal	May 1993
Stieltjes imaging method for molecular Auger transition rates: Application to the Auger spectrum of water Carravetta, Vincenzo; gren, Hans Physical Review A, Vol. 35, Issue 3 https://doi.org/10.1103/PhysRevA.35.1022	journal	February 1987
Chemical Bonding in XeF ₂ , XeF ₄ , KrF ₂ , KrF ₄ , RnF ₂ , XeCl ₂ , and XeBr ₂ : From the Gas Phase to the Solid State Liao, Meng-Sheng; Zhang, Qian-Er The Journal of Physical Chemistry A, Vol. 102, Issue 52 https://doi.org/10.1021/jp9825516	journal	December 1998
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules Coriani, Sonia; Christiansen, Ove; Fransson, Thomas Physical Review A, Vol. 85, Issue 2 https://doi.org/10.1103/PhysRevA.85.022507	journal	February 2012
Anion and cation-yield spectroscopy of core-excited SF6 Piancastelli, M. N.; Stolte, W. C.; Guillemin, R. The Journal of Chemical Physics, Vol. 122, Issue 9 https://doi.org/10.1063/1.1855314	journal	March 2005
Imaging charge transfer in iodomethane upon x-ray photoabsorption Erk, B.; Boll, R.; Trippel, S. Science, Vol. 345, Issue 6194 https://doi.org/10.1126/science.1253607	journal	July 2014
Photoionization qf Xenon with soft X-Rays Becker, U.; Kerkhoff, H. G.; Kupsch, M. Le Journal de Physique Colloques, Vol. 48, Issue C9 https://doi.org/10.1051/jphyscol:1987980	journal	December 1987
Configuration-interaction-based time-dependent orbital approach for ab initio treatment of electronic dynamics in a strong optical laser field Rohringer, Nina; Gordon, Ariel; Santra, Robin Physical Review A, Vol. 74, Issue 4 https://doi.org/10.1103/PhysRevA.74.043420	journal	October 2006
The nature of the chemical bond and the properties of compounds of the halogens and inert gases from the results of MO LCAO SCF calculations Charkin, O. P.; Smolyar, A. E.; Klimenko, N. M. Journal of Structural Chemistry, Vol. 19, Issue 1 https://doi.org/10.1007/BF00745353	journal	January 1978
Mechanism of Interatomic Coulombic Decay in Clusters Averbukh, Vitali; Müller, Imke B.; Cederbaum, Lorenz S. Physical Review Letters, Vol. 93, Issue 26 https://doi.org/10.1103/PhysRevLett.93.263002	journal	December 2004
Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method Nooijen, Marcel; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 102, Issue 17 https://doi.org/10.1063/1.469147	journal	May 1995
Analytic second derivatives for the spin-free exact two-component theory Cheng, Lan; Gauss, Jürgen The Journal of Chemical Physics, Vol. 135, Issue 24 https://doi.org/10.1063/1.3667202	journal	December 2011
High resolution, large spectral range, in variable-included-angle soft X-ray monochromators using a plane VLS grating Reininger, Ruben; de Castro, A. R. B. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 538, Issue 1-3 https://doi.org/10.1016/j.nima.2004.09.007	journal	February 2005
VUV spectra of the xenon fluorides Nielsen, U.; Schwarz, W. H. E. Chemical Physics, Vol. 13, Issue 3 https://doi.org/10.1016/0301-0104(76)80002-X	journal	April 1976
Three-body fragmentation of $C O_{2}^{2 +}$ upon $K$ -shell photoionization Pešić, Z. D.; Rolles, D.; Bilodeau, R. C. Physical Review A, Vol. 78, Issue 5 https://doi.org/10.1103/PhysRevA.78.051401	journal	November 2008
Multiple ionization of Xe—comparison of de-excitation pathways following 3d _5/2 ionization and 3d _5/2 → 6p resonance excitation Partanen, L.; Sankari, R.; Osmekhin, S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 38, Issue 12 https://doi.org/10.1088/0953-4075/38/12/005	journal	June 2005
Ba 5s photoionization in the region of the second Cooper minimum Whitfield, S. B.; Wehlitz, R.; Dolmatov, V. K. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 44, Issue 16 https://doi.org/10.1088/0953-4075/44/16/165002	journal	July 2011
Near-threshold study of Xe $3 d$ photoionization Kivimäki, A.; Hergenhahn, U.; Kempgens, B. Physical Review A, Vol. 63, Issue 1 https://doi.org/10.1103/PhysRevA.63.012716	journal	December 2000
3d photoionization of Xe, Cs and Ba and the collapse of the 4f wavefunction Arp, U.; Iemura, K.; Kutluk, G. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 32, Issue 5 https://doi.org/10.1088/0953-4075/32/5/019	journal	January 1999
Auger cascades versus direct double Auger: relaxation processes following photoionization of the Kr 3d and Xe 4d, 3d inner shells Viefhaus, Jens; Braune, Markus; Korica, Sanja Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 38, Issue 21 https://doi.org/10.1088/0953-4075/38/21/011	journal	October 2005
Measurement and *ab initio* calculation of the Ne photoabsorption spectrum in the region of the K edge Coreno, M.; Avaldi, L.; Camilloni, R. Physical Review A, Vol. 59, Issue 3 https://doi.org/10.1103/PhysRevA.59.2494	journal	March 1999
Exact two-component Hamiltonians revisited Liu, Wenjian; Peng, Daoling The Journal of Chemical Physics, Vol. 131, Issue 3 https://doi.org/10.1063/1.3159445	journal	July 2009
Setup for measurements of partial ion yields at the Synchrotron Radiation Center Wehlitz, R.; Lukić, D.; Koncz, C. Review of Scientific Instruments, Vol. 73, Issue 3 https://doi.org/10.1063/1.1425389	journal	March 2002
Impact of interatomic electronic decay processes on Xe 4d hole decay in the xenon fluorides Buth, Christian; Santra, Robin; Cederbaum, Lorenz S. The Journal of Chemical Physics, Vol. 119, Issue 20 https://doi.org/10.1063/1.1620502	journal	November 2003
Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach Cheng, Lan; Gauss, Jürgen; Stanton, John F. The Journal of Chemical Physics, Vol. 139, Issue 5 https://doi.org/10.1063/1.4816130	journal	August 2013
Single center method: A computational tool for ionization and electronic excitation studies of molecules Demekhin, Ph. V.; Ehresmann, A.; Sukhorukov, V. L. The Journal of Chemical Physics, Vol. 134, Issue 2 https://doi.org/10.1063/1.3526026	journal	January 2011
Near-threshold photoionization of the Xe $3 d$ spin-orbit doublet: Relativistic, relaxation, and intershell interaction effects Radojević, V.; Davidović, D. M.; Amusia, M. Ya. Physical Review A, Vol. 67, Issue 2 https://doi.org/10.1103/PhysRevA.67.022719	journal	February 2003
A Green’s function and configuration interaction investigation on the doubly ionized states of H ₂ O Tarantelli, F.; Tarantelli, A.; Sgamellotti, A. The Journal of Chemical Physics, Vol. 83, Issue 9 https://doi.org/10.1063/1.448992	journal	November 1985
Relativistic Gaussian basis sets for the elements K - Uuo Faegri Jr, Knut Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 105, Issue 3 https://doi.org/10.1007/s002140000209	journal	January 2001
Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers Roos, Björn O.; Veryazov, Valera; Widmark, Per-Olof Theoretical Chemistry Accounts, Vol. 111, Issue 2-6 https://doi.org/10.1007/s00214-003-0537-0	journal	December 2003
Decay pathways after Xe 3d inner shell ionization using a multi-electron coincidence technique Suzuki, I. H.; Hikosaka, Y.; Shigemasa, E. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 44, Issue 7 https://doi.org/10.1088/0953-4075/44/7/075003	journal	March 2011
On the interpretation of molecular valence Auger spectra Ågren, Hans The Journal of Chemical Physics, Vol. 75, Issue 3 https://doi.org/10.1063/1.442176	journal	August 1981
Development and characterization of a multiple-coincidence ion-momentum imaging spectrometer Laksman, J.; Céolin, D.; Månsson, E. P. Review of Scientific Instruments, Vol. 84, Issue 12 https://doi.org/10.1063/1.4853435	journal	December 2013
Vibrationally resolved oxygen K→Π∗ spectra of O2 and CO Coreno, M.; de Simone, M.; Prince, K. C. Chemical Physics Letters, Vol. 306, Issue 5-6 https://doi.org/10.1016/S0009-2614(99)00468-6	journal	June 1999
Direct Hartree-Fock calculation of multiple Xe ⁱ⁺ ion production through inner shell vacancy de-excitations Kochur, A. G.; Dudenko, A. I.; Sukhorukov, V. L. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 27, Issue 9 https://doi.org/10.1088/0953-4075/27/9/011	journal	May 1994
On the Problem Structure of XeF ₄ and XeF ₂ Rundle, R. E. Journal of the American Chemical Society, Vol. 85, Issue 1 https://doi.org/10.1021/ja00884a026	journal	January 1963
Effect of relativity on the ionization spectra of the xenon fluorides XeFn (n=2, 4, 6) Pernpointner, Markus; Cederbaum, Lorenz S. The Journal of Chemical Physics, Vol. 122, Issue 21 https://doi.org/10.1063/1.1914771	journal	June 2005
Response functions from Fourier component variational perturbation theory applied to a time-averaged quasienergy Christiansen, Ove; J�rgensen, Poul; H�ttig, Christof International Journal of Quantum Chemistry, Vol. 68, Issue 1 https://doi.org/10.1002/(SICI)1097-461X(1998)68:1%3C1::AID-QUA1%3E3.0.CO;2-Z	journal	January 1998
Interfacing relativistic and nonrelativistic methods. IV. One- and two-electron scalar approximations Dyall, Kenneth G. The Journal of Chemical Physics, Vol. 115, Issue 20 https://doi.org/10.1063/1.1413512	journal	November 2001
Atypical compounds of gases, which have been called ‘noble’ Grochala, Wojciech Chemical Society Reviews, Vol. 36, Issue 10 https://doi.org/10.1039/b702109g	journal	January 2007
Evidence for interatomic Coulombic decay in Xe $K$ -shell-vacancy decay of XeF $_{2}$ Dunford, R. W.; Southworth, S. H.; Ray, D. Physical Review A, Vol. 86, Issue 3 https://doi.org/10.1103/PhysRevA.86.033401	journal	September 2012
Calculation of properties with the coupled-cluster method Monkhorst, Hendrik J. International Journal of Quantum Chemistry, Vol. 12, Issue S11 https://doi.org/10.1002/qua.560120850	journal	January 1977
Auger electron spectrum and ionization potentials of the HF molecule Shaw, R. W.; Thomas, T. D. Physical Review A, Vol. 11, Issue 5 https://doi.org/10.1103/PhysRevA.11.1491	journal	May 1975
B-spline algebraic diagrammatic construction: Application to photoionization cross-sections and high-order harmonic generation Ruberti, M.; Averbukh, V.; Decleva, P. The Journal of Chemical Physics, Vol. 141, Issue 16 https://doi.org/10.1063/1.4900444	journal	October 2014
Symmetry breaking and localization in resonant photon emission Cederbaum, L. S. The Journal of Chemical Physics, Vol. 103, Issue 2 https://doi.org/10.1063/1.470090	journal	July 1995
Experimental Demonstration of Femtosecond Two-Color X-Ray Free-Electron Lasers Lutman, A. A.; Coffee, R.; Ding, Y. Physical Review Letters, Vol. 110, Issue 13 https://doi.org/10.1103/PhysRevLett.110.134801	journal	March 2013
Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeFn,n = 1, 2, 4, 6) Styszy?ski, Jacek; Cao, Xiaoping; Malli, Gulzari L. Journal of Computational Chemistry, Vol. 18, Issue 5 https://doi.org/10.1002/(SICI)1096-987X(19970415)18:5%3C601::AID-JCC1%3E3.0.CO;2-R	journal	April 1997
Spectra of the xenon fluorides XeF ₂ and XeF ₄ in the far uv region Comes, F. J.; Haensel, R.; Nielsen, U. The Journal of Chemical Physics, Vol. 58, Issue 2 https://doi.org/10.1063/1.1679232	journal	January 1973
Auger cascade satellites following 3d ionization in xenon Jonauskas, V.; Partanen, L.; Ku as, S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 36, Issue 22 https://doi.org/10.1088/0953-4075/36/22/003	journal	October 2003
Analytic energy gradients for the equation‐of‐motion coupled‐cluster method: Implementation and application to the HCN/HNC system Stanton, John F.; Gauss, Jürgen The Journal of Chemical Physics, Vol. 100, Issue 6 https://doi.org/10.1063/1.466253	journal	March 1994
Principles of direct 4-component relativistic SCF: application to caesium auride Saue, By T.; Faegri, K.; Helgaker, T. Molecular Physics, Vol. 91, Issue 5 https://doi.org/10.1080/002689797171058	journal	August 1997
Jahn-Teller coupling and fragmentation after core-shell excitation in CF $_{4}$ investigated by partial-ion-yield spectroscopy Guillemin, Renaud; Stolte, Wayne C.; Piancastelli, Maria Novella Physical Review A, Vol. 82, Issue 4 https://doi.org/10.1103/PhysRevA.82.043427	journal	October 2010
Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules Bauch, S.; Sørensen, L. K.; Madsen, L. B. Physical Review A, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevA.90.062508	journal	December 2014
Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water Besley, Nicholas A. Chemical Physics Letters, Vol. 542 https://doi.org/10.1016/j.cplett.2012.05.059	journal	July 2012
Time-dependent restricted-active-space configuration-interaction method for the photoionization of many-electron atoms Hochstuhl, David; Bonitz, Michael Physical Review A, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevA.86.053424	journal	November 2012
Selecting core-hole localization or delocalization in CS2 by photofragmentation dynamics Guillemin, R.; Decleva, P.; Stener, M. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7166	journal	January 2015
A Far-Ultraviolet Spectroscopic Study of Xenon Difluoride Wilson, E. Guy.; Jortner, Joshua.; Rice, Stuart A. Journal of the American Chemical Society, Vol. 85, Issue 6 https://doi.org/10.1021/ja00889a033	journal	March 1963
Yields of multicharged Xe ions in the M-shell transition region Saito, N.; Suzuki, I. H. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 25, Issue 8 https://doi.org/10.1088/0953-4075/25/8/013	journal	April 1992
Introduction to Relativistic Quantum Chemistry Dyall, Kenneth G.; Faegri, Knut https://doi.org/10.1093/oso/9780195140866.001.0001		January 2007

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