Single-photon core-valence double ionization of molecular oxygen

Andersson, Egil; Stenrup, Michael; Eland, J. H. D.; Hedin, Lage; Berglund, Martin; Karlsson, Leif; Larson, Åsa; Ågren, Hans; Rubensson, Jan‐Erik; Feifel, Raimund

doi:10.1103/physreva.78.023409

Cited by 17 publications

(26 citation statements)

References 28 publications

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“…[12] and references therein). Briefly, multielectron coincidences were detected using a magnetic bottle timeof-flight spectrometer [6] capable of resolving individual electron kinetic energies.…”

Section: Methodsmentioning

confidence: 99%

Multielectron coincidence study of the double Auger decay of3d-ionized krypton

et al. 2010

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This is the published version of a paper published in Physical Review A. Atomic, Molecular, and Optical Physics. Citation for the original published paper (version of record):Andersson, E., Fritzsche, S., Linusson, P., Hedin, L., Eland, J H. et al. (2010) Multielectron coincidence study of the double Auger decay of 3d-ionized krypton.Physical Review A. Atomic, Molecular, and Optical Physics, 82(4) Multielectron coincidence data for triple ionization of krypton have been recorded above the 3d ionization threshold at two photon energies (140 and 150 eV). Three principal transition pathways have been observed, two involving double Auger transitions from Kr + , and one involving single Auger transitions from Kr 2+ created by direct single-photon double ionization. The decay of the 3d 9 2 D 5/2,3/2 states in Kr + has been analyzed in some detail and is found to be strongly dominated by cascade processes where two electrons with well-defined energies are emitted. The decay paths leading to the 4s 2 4p 3 4 S, 2 D, and 2 P states of Kr 3+ are analyzed and energies of seven intermediate states in Kr 2+ are given. A preliminary investigation of the decay paths from Kr + 3d 9 4p 5 nl shake-up states has also been carried out.

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Section: Methodsmentioning

confidence: 99%

Multielectron coincidence study of the double Auger decay of3d-ionized krypton

et al. 2010

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“…The experiments were carried out at beamline U49/2-PGM-2 [5] of the BESSY-II storage ring in Berlin, which was operated in single-bunch mode giving 30 ps light pulses with 800.5 ns spacing, in combination with a versatile multiparticle coincidence technique [6][7][8]. In the setup used, monochromatized synchrotron radiation crosses an effusive beam of target gas at one end of a magnetic bottle spectrometer [9,10] formed by the divergent field of a ∼0.5 T strong, conically shaped, permanent magnet and the ∼10 −3 T weak, uniform field of a long solenoid.…”

Section: Methodsmentioning

confidence: 99%

Symmetry breaking in core-valence double photoionization of SO2

et al. 2012

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Core-valence double photoionization electron spectra of the SO 2 molecule involving the S 2p and O 1s inner shells have been measured using a time-of-flight multiparticle coincidence technique. The experimental spectra are compared with quantum-chemical calculations based on density functional theory by which several core-valence dicationic states are identified. Assignments conform with a picture where the formation of a O 1s-valence dicationic state is associated with a physical, "pseudo-Jahn-Teller," symmetry breaking and core-hole localization. It is shown that while density functional theory gives very good transition energies in the symmetry-broken case, it gives a poor representation in the symmetry-restricted case, and an incomplete account of the Hartree-Fock localization energy.

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“…The time-to-energy conversion was calibrated using the Kr 3d photoelectron lines [21] recorded at several photon energies. The flight times of two electrons originating from the same ionization process were measured with a time reference set by the ionizing photon pulse of the ring [5,22]. With respect to the latter, the experimental investigations were performed when the storage ring was operated in single bunch mode, which provides 30-ps light pulses at an interpulse period of 800.5 ns [23].…”

Section: Methodsmentioning

confidence: 99%

“…The experimental data were recorded at beamline U49/2-PGM-2 [18] at BESSY-II in Berlin, using a ∼2.2-m-long magnetic-bottle time-of-flight electron spectrometer designed for multiparticle coincidence measurements [5,19,20]. The time-to-energy conversion was calibrated using the Kr 3d photoelectron lines [21] recorded at several photon energies.…”

Section: Methodsmentioning

confidence: 99%

“…One example of this assertion is given by double ionization photoelectron spectroscopy (DIPES) that provides information about the energy distribution of dicationic states of atoms and molecules and the probability for emission of two electrons on the absorption of a single incident photon (see, e.g., Refs. [1][2][3][4][5][6] and references therein). In the strong-field regime, two-photon DIPES can be used in double core-hole spectroscopy, theoretically studied by Cederbaum and coworkers [7][8][9] and byÅgren and Jensen [10].…”

Section: Introductionmentioning

confidence: 99%

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Experimental and theoretical study of core-valence double photoionization of OCS

et al. 2010

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Experimental and theoretical study of core-valence double photoionization of OCS.Physical Review A. Atomic, Molecular, and Optical Physics, 82(4) O 1s, C 1s, and S 2p core-valence double ionization electron spectra of the OCS molecule have been obtained experimentally by a time-of-flight photoelectron-photoelectron coincidence spectroscopy technique. In order to analyze and assign the spectral features observed, we present a protocol for computing core-valence ionization energies of such systems. The protocol is based on a restricted active space multiconfigurational self-consistent field (MCSCF) methodology with a freeze-relax procedure to guarantee a correct core-valence state root index without variational collapse. Corrections for extended dynamical correlation and core-core correlation, respectively, are made by multiconfigurational perturbation theory and by uncontracted basis set Møller-Plesset theory. Envisioning applications to larger molecules, a spin-restricted open-shell density functional method is also applied for the lowest core-valence energies. Furthermore, cross sections through a scheme for computing multiatom Auger transitions generating core-valence holes are presented. We find that the procedure outlined is capable of deriving the energy onset of core-valence ionization within a fraction of an eV and that assignments can be made of the most salient spectral features.

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Single-photon core-valence double ionization of molecular oxygen

Cited by 17 publications

References 28 publications

Multielectron coincidence study of the double Auger decay of3d-ionized krypton

Multielectron coincidence study of the double Auger decay of3d-ionized krypton

Symmetry breaking in core-valence double photoionization of SO2

Experimental and theoretical study of core-valence double photoionization of OCS

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