Absolute cross sections for m-fold photoionization (m = 1, . . . , 6) of Fe + by a single photon were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source, operated by DESY in Hamburg, Germany. Photon energies were in the range 680-920 eV which covers the photoionization resonances associated with 2p and 2s excitation to higher atomic shells as well as the thresholds for 2p and 2s ionization. The corresponding resonance positions were measured with an uncertainty of ±0.2 eV. The cross section for Fe + photoabsorption is derived as the sum of the individually measured cross-sections for m-fold ionization. Calculations of the Fe + absorption cross sections have been carried out using two different theoretical approaches, Hartree-Fock including relativistic extensions and fully relativistic Multi-Configuration Dirac Fock. Apart from overall energy shifts of up to about 3 eV, the theoretical cross sections are in good agreement with each other and with the experimental results. In addition, the complex deexcitation cascades after the creation of inner-shell holes in the Fe + ion have been tracked on the atomic fine-structure level. The corresponding theoretical results for the product charge-state distributions are in much better agreement with the experimental data than previously published configuration-average results. The present experimental and theoretical results are valuable for opacity calculations and are expected to pave the way to a more accurate determination of the iron abundance in the interstellar medium.

We report on new measurements of m-fold photodetachment (m = 2 − 5) of carbon anions via K-shell excitation and ionization. The experiments were carried out employing the photon-ion merged-beams technique at a synchrotron light source. While previous measurements were restricted to double detachment (m = 2) and to just the lowest-energy K-shell resonance at about 282 eV, our absolute experimental m-fold detachment cross sections at photon energies of up to 1000 eV exhibit a wealth of new thresholds and resonances. We tentatively identify these features with the aid of detailed atomic-structure calculations. In particular, we find unambiguous evidence for fivefold detachment via double K-hole production.Atomic anions are highly correlated systems where the extra electron is weakly bound to an overall neutral charge distribution. Consequently, the number of excited states of atomic anions is quite limited [1] and some atomic species such as nitrogen do not form anions at all. A thorough treatment of the correlation effects in negative atomic ions still poses a formidable challenge to atomic theory, and this becomes even greater for innershell vacancies, since the valence electrons are then subject to strong many-electron relaxation effects following the creation of core holes [2, 3]. On the experimental side, core holes can be readily created by exciting or ionizing an inner-shell electron by a photon. For light ions, the core-hole state will subsequently decay via Auger transitions such that electrons are emitted with the net effect of photoionization. For negative ions, the entire process is termed (multiple) photodetachment.So far, photodetachment via the initial creation of a single K-hole has been experimentally studied only for a limited number of light anions up to F − [3-9]. For C − ions especially, previous measurements were carried out by Gibson et al. [7] and by Walter et al. [8] who studied double photodetachment in a very narrow photon energy range just covering the 1s 2 2s 2 2p 3 4 S → 1s 2s 2 2p 4 4 P resonance at about 282 eV. This scarcity of data is due to the fact that sufficiently high photon fluxes for more comprehensive studies were not available. Here, we present absolute cross sections, σ m , for m-fold photodetachment of C − ions by a single photon,with m = 2, 3, 4, 5 and photon energies from below the K-edge up to ∼1000 eV. These cross sections provide a view of the photodetachment dynamics of a highly correlated atomic system in unprecedented detail. Apart from the resonance at ∼282 eV, we observed a number of additional photodetachment resonances with a variety of line shapes as well as a clear signature for multiple detachment by direct double K-hole production. To better understand these observations, detailed atomic-structure calculations were performed by using the GRASP [10] and RATIP [11] codes as well as the Jena Atomic Calculator (JAC) [12]. To the best of our knowledge, there is only one other theoretical study of highly excited resonances in C − which, however, is focussed exc...

Relative cross sections for m-fold photoionization (m=1,K,5) of Fe 3+ by single-photon absorption were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source operated at DESY in Hamburg, Germany. The photon energies used spanned the range of 680-950 eV, covering both the photoexcitation resonances from the 2p and 2s shells, as well as the direct ionization from both shells. Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations were performed to simulate the total photoexcitation spectra. Good agreement was found with the experimental results. These computations helped to assign several strong resonance features to specific transitions. We also carried out Hartree-Fock calculations with relativistic extensions taking into account both photoexcitation and photoionization. Furthermore, we performed extensive MCDHF calculations of the Auger cascades that result when an electron is removed from the 2p and 2s shells of Fe 3+. Our theoretically predicted charge-state fractions are in good agreement with the experimental results, representing a substantial improvement over previous theoretical calculations. The main reason for the disagreement with the previous calculations is their lack of inclusion of slow Auger decays of several configurations that can only proceed when accompanied by de-excitation of two electrons. In such cases, this additional shake-down transition of a (sub)valence electron is required to gain the necessary energy for the release of the Auger electron.

Double and triple detachment of the F^{-}(1s^{2}2s^{2}2p^{6}) negative ion by a single photon have been investigated in the photon energy range 660 to 1000 eV. The experimental data provide unambiguous evidence for the dominant role of direct photodouble detachment with a subsequent single-Auger process in the reaction channel leading to F^{2+} product ions. Absolute cross sections were determined for the direct removal of a (1s+2p) pair of electrons from F^{-} by the absorption of a single photon.

The Photon-Ion Spectrometer at PETRA III -in short, PIPE -is a permanently installed user facility at the "Variable Polarization XUV Beamline" P04 of the synchrotron light source PETRA III operated by DESY in Hamburg, Germany. The careful design of the PIPE ion-optics in combination with the record-high photon flux at P04 has lead to a breakthrough in experimental studies of photon interactions with ionized small quantum systems. This short review provides an overview over the published scientific results from photon-ion merged-beams experiments at PIPE that were obtained since the start of P04 operations in 2013. The topics covered comprise photoionization of ions of astrophysical relevance, quantitative studies of multi-electron processes upon inner-shell photoexcitation and photoionization of negative and positive atomic ions, precision spectroscopy of photoionization resonances, photoionization and photofragmentation of molecular ions and of endohedral fullerene ions.

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The F 1s core level photoionization of the ionic molecular radical HF + has been studied using the photon−ion merged-beams technique at a synchrotron radiation source. Upon analyzing kinetic energy release (KER) dependent photoion yield spectra, complex ultrafast dissociation dynamics of the F 1s core hole excited σ* state can be revealed. By means of configuration−interaction electronic structure calculations of the excited molecular potential energy curves, this complex process can be attributed to a spin-dependent dissociation of the excited σ* biradical state.

Synopsis Photoprocesses of the endohedral fullerene ions Sc 3 N @ C 80 + and Sc 3 N @ C 80 − in the gas phase have been experimentally investigated with emphasis on the specific effects of the encapsulated trimetallic nitride cluster Sc3N on the observed reaction yields. Clear evidence of photoexcitation near the Sc L edge is obtained with the dominating contributions visible in the one- and two-electron-removal channels. The experiments are accompanied by model calculations employing density functional theory (DFT).