The international collaboration on Computation Atomic Structure

CompAS Publications

Authors Title Year Source title Volume Issue Art. No. Page start DOI
Siek F.; Neb S.; Bartz P. et al. Angular momentum–induced delays in solid-state photoemission enhanced by intra-atomic interactions 2017 Science 357 6357   1274 10.1126/science.aam9598
Li S.; Si R.; Zhang C. et al. Resonance enhanced electron impact excitation of Cu-like gadolinium 2017 European Physical Journal D 71 6 156   10.1140/epjd/e2017-70779-4
Wang K.; Chen Z.B.; Chen C.Y. et al. Calculation of levels, transition rates, and lifetimes for the arsenic isoelectronic sequence Sn XVIII-Ba XXIV, W XLII 2017 Atomic Data and Nuclear Data Tables 117-118     174 10.1016/j.adt.2016.09.003
Ferrer R.; Barzakh A.; Bastin B. et al. Towards high-resolution laser ionization spectroscopy of the heaviest elements in supersonic gas jet expansion 2017 Nature Communications 8   14520   10.1038/ncomms14520
Bilal M.; Beerwerth R.; Volotka A.V. et al. Ab initio calculations of energy levels, transition rates and lifetimes in Ni XII 2017 Monthly Notices of the Royal Astronomical Society 469 4   4620 10.1093/mnras/stx1203
Fischer C.F.; Gaigalas G.; Jönsson P. Core effects on transition energies for 3dk configurations in Tungsten ions 2017 Atoms 5 1 7   10.3390/atoms5010007
Si R.; Zhang C.Y.; Yao K. et al. Persistent discrepancy between experimental and theoretical lifetimes for Ni- 2017 Physical Review A 95 4 42504   10.1103/PhysRevA.95.042504
Nicholls C.P.; Lebzelter T.; Smette A. et al. CRIRES-POP: A library of high resolution spectra in the near-infrared: II. Data reduction and the spectrum of the K giant 10 Leonis 2017 Astronomy and Astrophysics 598   A79   10.1051/0004-6361/201629244
Tu B.; Yao K.; Shen Y. et al. Observation of an extremely-long-lived metastable level in a Ti-like system via an L-shell dielectronic recombination measurement in highly charged 3dn ions of tungsten 2017 Physical Review A 96 3 32705   10.1103/PhysRevA.96.032705
Stock S.; Beerwerth R.; Fritzsche S. Auger cascades in resonantly excited neon 2017 Physical Review A 95 5 53407   10.1103/PhysRevA.95.053407
Si R.; Zhang C.Y.; Liu Y.W. et al. Extensive and accurate energy levels and transition rates for Al-like Zn XVIII 2017 Journal of Quantitative Spectroscopy and Radiative Transfer 189     249 10.1016/j.jqsrt.2016.12.006
Li W.; Casini R.; Alemán T.D.P. et al. Solar Spectral Lines with Special Polarization Properties for the Calibration of Instrument Polarization 2017 Astrophysical Journal 848 2 82   10.3847/1538-4357/aa8b0e
Tayal S.S.; Zatsarinny O. Electron impact excitation of O III 2017 Journal of Physics: Conference Series 875 6 52002   10.1088/1742-6596/875/6/052002
Müller R.A.; Volotka A.V.; Fritzsche S. et al. Theoretical analysis of the electron bridge process in 229Th3+ 2017 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 408     84 10.1016/j.nimb.2017.05.004
Deprince J.; Fritzsche S.; Kallman T. et al. Plasma effects on atomic data for the K-vacancy states of highly charged iron ions 2017 AIP Conference Proceedings 1811   40002   10.1063/1.4975718
Chen Z.-B.; Ma K.; Wang H.-J. et al. Energy levels, oscillator strengths, line strengths, and transition probabilities in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI 2017 Atomic Data and Nuclear Data Tables 113     258 10.1016/j.adt.2016.03.002
Wang K.; Yang X.; Chen Z.B. et al. Energy levels, lifetimes, and transition rates for the selenium isoelectronic sequence Pd XIII–Te XIX, Xe XXI–Nd XXVII, W XLI 2017 Atomic Data and Nuclear Data Tables 117-118     1 10.1016/j.adt.2016.10.002
Schippers S.; Martins M.; Beerwerth R. et al. Near L-edge Single and Multiple Photoionization of Singly Charged Iron Ions 2017 Astrophysical Journal 849 1 5   10.3847/1538-4357/aa8fcc
Hofbrucker J.; Volotka A.V.; Fritzsche S. Photoelectron distribution of nonresonant two-photon ionization of neutral atoms 2017 Physical Review A 96 1 13409   10.1103/PhysRevA.96.013409
Hartman H.; Engström L.; Lundberg H. et al. Radiative data for highly excited 3d 8 4d levels in Ni II from laboratory measurements and atomic calculations 2017 Astronomy and Astrophysics 600   A108   10.1051/0004-6361/201629615
Goswamit B.; Volotka A.V.; Fritzsche S. Spin evolution of two valence electrons in two separated ions 2017 Journal of Physics: Conference Series 875 6 52007   10.1088/1742-6596/875/6/052007
Sabbar M.; Heuser S.; Boge R. et al. Erratum: Resonance Effects in Photoemission Time Delays [Phys. Rev. Lett. 115, 133001 (2015) 2017 Physical review letters 119 21 219901 219901 10.1103/PhysRevLett.119.219901
Böning B.; Paufler W.; Fritzsche S. Sideband and streaking regimes in two-color photoionization by twisted X-waves in strong infrared fields 2017 Journal of Physics: Conference Series 875 3 22017   10.1088/1742-6596/875/3/022017
Gaigalas G.; Fischer C.F.; Rynkun P. et al. JJ2LSJ transformation and unique labeling for energy levels 2017 Atoms 5 1 6   10.3390/atoms5010006
Tu B.; Li M.C.; Lu Q.F. et al. Responsivity calibration of the extreme ultraviolet spectrometer in the range of 175-435 Å 2017 AIP Advances 7 4 45219   10.1063/1.4982798
Granados C.; Creemers P.; Ferrer R. et al. In-gas laser ionization and spectroscopy of actinium isotopes near the N=126 closed shell 2017 Physical Review C 96 5 54331   10.1103/PhysRevC.96.054331
Wang K.; Jönsson P.; Ekman J. et al. Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for oxygen-like Kr XXIX 2017 Journal of Quantitative Spectroscopy and Radiative Transfer 194     108 10.1016/j.jqsrt.2017.03.014
Wu Z.W.; Volotka A.V.; Surzhykov A. et al. Accessing the hyperfine splitting in highly charged helium-like ions via angle-resolved X-ray spectroscopic analysis 2017 Journal of Physics: Conference Series 875 3 22043   10.1088/1742-6596/875/3/022043
Shah C.; Amaro P.; Steinbrügge R. et al. Strong higher-order resonant contribution to Fe Kα x-ray line polarization in hot anisotropic plasmas 2017 Journal of Physics: Conference Series 875 6 52038   10.1088/1742-6596/875/6/052038
Lu J.-J.; Li Z.-H.; Chen C.-Y. et al. Convergence of the hole-line expansion with modern nucleon-nucleon potentials 2017 Physical Review C 96 4 44309   10.1103/PhysRevC.96.044309
Wang K.; Fernández-Menchero L.; Zatsarinny O. et al. Benchmark calculations for electron-impact excitation of Mg4+ 2017 Journal of Physics: Conference Series 875 6 52003   10.1088/1742-6596/875/6/052003
Kup Aylikci N.; Sampaio J.M.; Kahoul A. et al. The investigation of K-shell fluorescence parameters of Zn–Fe alloys with different grain size and microstrain values 2017 X-Ray Spectrometry 46 4   242 10.1002/xrs.2763
Peshkov A.A.; Seipt D.; Surzhykov A. et al. Photoexcitation of atoms by Laguerre-Gaussian beams 2017 Physical Review A 96 2 23407   10.1103/PhysRevA.96.023407
Rhodin A.P.; Belmonte M.T.; Engström L. et al. Lifetime measurements and oscillator strengths in singly ionized scandium and the solar abundance of scandium 2017 Monthly Notices of the Royal Astronomical Society 472 3   3337 10.1093/MNRAS/STX2159
Wang K.; Jönsson P.; Ekman J. et al. Extended Calculations of Spectroscopic Data: Energy Levels, Lifetimes, and Transition Rates for O-like Ions from Cr xxiii 2017 Astrophysical Journal, Supplement Series 229 2 37   10.3847/1538-4365/aa6847
Hofbrucker J.; Volotka A.V.; Fritzsche S. Relativistic effects in the non-resonant two-photon K-shell ionization of neutral atoms 2017 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 408     125 10.1016/j.nimb.2017.03.153
Inoyatov A.K.; Kovalik A.; Perevoshchikov L.L. et al. The KLM + KLN Auger electron spectrum of rubidium in different matrices 2017 Journal of Physics B: Atomic, Molecular and Optical Physics 50 15 155001   10.1088/1361-6455/aa7990
Gustafsson S.; Jönsson P.; Fischer C.F. et al. Combining multiconfiguration and perturbation methods: Perturbative estimates of core-core electron correlation contributions to excitation energies in Mg-like iron 2017 Atoms 5 1 3   10.3390/atoms5010003
Marante C.; Klinker M.; Kjellsson T. et al. Photoionization using the xchem approach: Total and partial cross sections of Ne and resonance parameters above the 2s22p5 threshold 2017 Physical Review A 96 2 22507   10.1103/PhysRevA.96.022507
Bartschat K.; Tennyson J.; Zatsarinny O. Quantum-Mechanical Calculations of Cross Sections for Electron Collisions With Atoms and Molecules 2017 Plasma Processes and Polymers 14 1-2 1600093   10.1002/ppap.201600093
Wang K.; Jönsson P.; Ekman J. et al. Comment on “theoretical Confirmation of the Low Experimental 3C/3D f -Value Ratio in Fe xvii “ 2017 Physical Review Letters 119 18 189301   10.1103/PhysRevLett.119.189301
Chen Z.-B.; Wang K. Energies and transition rates in Ge-like ions between In XVIII and Ce XXVII 2017 Atomic Data and Nuclear Data Tables 114     61 10.1016/j.adt.2016.05.001
Barbuy B.; Beiersdorfer P.; Brage T. Atomic spectra and oscillator strengths for astrophysical and laboratory plasmas: ASOS-12 2017 Canadian Journal of Physics 95 9   v 10.1139/cjp-2017-0261
Zatsarinny O.; Bartschat K. B-spline R-matrix with pseudo-states calculations for electron-impact excitation and ionization of magnesium 2017 Journal of Physics: Conference Series 875 6 52004   10.1088/1742-6596/875/6/052004
Andersson J.; Beerwerth R.; Roos A.H. et al. Auger decay of 4d inner-shell holes in atomic Hg leading to triple ionization 2017 Physical Review A 96 1 12505   10.1103/PhysRevA.96.012505
Argenti L.; Jiménez-Galán Á.; Caillat J. et al. Control of photoemission delay in resonant two-photon transitions 2017 Physical Review A 95 4 43426   10.1103/PhysRevA.95.043426
Rhodin A.P.; Hartman H.; Nilsson H. et al. Experimental and theoretical oscillator strengths of Mg i for accurate abundance analysis 2017 Astronomy and Astrophysics 598   A102   10.1051/0004-6361/201629849
Barklem P.S.; Osorio Y.; Fursa D.V. et al. Inelastic e+Mg collision data and its impact on modelling stellar and supernova spectra 2017 Astronomy and Astrophysics 606   A11   10.1051/0004-6361/201730864
Goswami B.; Antony B.; Fritzsche S. Electron impact scattering and calculated ionization cross sections for SFx (x = 1–5) radicals 2017 International Journal of Mass Spectrometry 417     8 10.1016/j.ijms.2017.04.014
Zatsarinny O.; Fernandez-Menchero L.; Bartschat K. Photoionization of neutral iron from ground and metastable states 2017 Journal of Physics: Conference Series 875 3 22002   10.1088/1742-6596/875/3/022002
Wang K.; Li S.; Si R. et al. Energies, wavelengths, lifetimes, E1, M1, E2, and M2 transitions rates for the sulfur isoelectronic sequence Fe XI, Nb XXVI-In XXXIV 2017 Canadian Journal of Physics 95 4   393 10.1139/cjp-2016-0595
Beerwerth R.; Fritzsche S. MCDF calculations of Auger cascade processes 2017 European Physical Journal D 71 10 253   10.1140/epjd/e2017-80064-3
Xia L.; Zhang C.Y.; Si R. et al. Resonance-enhanced electron-impact excitation of Cu-like gold 2017 Journal of Quantitative Spectroscopy and Radiative Transfer 198     48 10.1016/j.jqsrt.2017.05.001
Wu D.; He X.T.; Yu W. et al. Monte Carlo approach to calculate ionization dynamics of hot solid-density plasmas within particle-in-cell simulations 2017 Physical Review E 95 2 23208   10.1103/PhysRevE.95.023208
Santos J.P.; Parente F.; Martins M.C. et al. Radiative transition rates of 1s2s(3S)3p levels for Li-like ions with 5⩽Z⩽10 2017 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 408     100 10.1016/j.nimb.2017.04.015
Fernández-Menchero L.; Zatsarinny O.; Bartschat K. Electron impact excitation of N3+ using the B-spline R-matrix method: Importance of the target structure description and the size of the close-coupling expansion 2017 Journal of Physics B: Atomic, Molecular and Optical Physics 50 6 65203   10.1088/1361-6455/aa5fc4
Marante C.; Klinker M.; Corral I. et al. Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems 2017 Journal of Chemical Theory and Computation 13 2   499 10.1021/acs.jctc.6b00907
Jasik P.; Sienkiewicz J.E.; Domsta J. et al. Electronic structure and time-dependent description of rotational predissociation of LiH 2017 Physical Chemistry Chemical Physics 19 30   19777 10.1039/c7cp02097j
Schippers S.; Beerwerth R.; Abrok L. et al. Multi-electron processes in K-shell double and triple photodetachment of oxygen anions 2017 Journal of Physics: Conference Series 875 3 22004   10.1088/1742-6596/875/3/022004
Zille D.; Seipt D.; Möller M. et al. Spin-dependent quantum theory of high-order above-threshold ionization 2017 Physical Review A 95 6 63408   10.1103/PhysRevA.95.063408
Wang K.; Li S.; Jönsson P. et al. Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX 2017 Journal of Quantitative Spectroscopy and Radiative Transfer 187     375 10.1016/j.jqsrt.2016.10.011
Deprince J.; Fritzsche S.; Kallman T.R. et al. Influence of plasma environment on K-line emission in highly ionized iron atoms evaluated using a Debye-Huckel model 2017 Canadian Journal of Physics 95 9   858 10.1139/cjp-2016-0667
Gomis L.; Tall M.S.; Hibbert A. et al. Implications of configuration interaction wavefunctions in length and velocity theoretical determination of generalized oscillator strengths for the excitations to 2p5(3d, 4s, 4d, 4f) of neon 2017 Journal of Quantitative Spectroscopy and Radiative Transfer 201     128 10.1016/j.jqsrt.2017.07.003
Beerwerth R.; Fritzsche S. Shake-up processes in Auger Cascades of Light and Medium Elements 2017 Journal of Physics: Conference Series 875 7 62004   10.1088/1742-6596/875/7/062004
Pitchford L.C.; Alves L.L.; Bartschat K. et al. LXCat: an Open-Access, Web-Based Platform for Data Needed for Modeling Low Temperature Plasmas 2017 Plasma Processes and Polymers 14 1-2 1600098   10.1002/ppap.201600098
Wu Z.W.; Volotka A.V.; Dong C.Z. et al. Dielectronic recombination of highly charged ions with spin-polarized electrons 2017 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 408     130 10.1016/j.nimb.2017.04.076
Yang Y.; Xiao J.; Lu D. et al. A high precision flat crystal spectrometer compatible for ultra-high vacuum light source 2017 Review of Scientific Instruments 88 11 113108   10.1063/1.5010995
Petersson C.L.M.; Argenti L.; Martín F. Attosecond transient absorption spectroscopy of helium above the N=2 ionization threshold 2017 Physical Review A 96 1 13403   10.1103/PhysRevA.96.013403
Laha S.; Tyndall N.B.; Keenan F.P. et al. Emission Line Ratios of FE III as Astrophysical Plasma Diagnostics 2017 Astrophysical Journal 841 1 3   10.3847/1538-4357/aa7071
Ginges J.S.M.; Volotka A.V.; Fritzsche S. Ground-state hyperfine splitting for Rb, Cs, Fr, Ba+, and Ra+ 2017 Physical Review A 96 6 62502   10.1103/PhysRevA.96.062502
Waitz M.; Bello R.Y.; Metz D. et al. Imaging the square of the correlated two-electron wave function of a hydrogen molecule 2017 Nature Communications 8 1 2266   10.1038/s41467-017-02437-9
Filippin L.; Bieroń J.; Gaigalas G. et al. Multiconfiguration calculations of electronic isotope-shift factors in Zn i 2017 Physical Review A 96 4 42502   10.1103/PhysRevA.96.042502
Tayal S.S.; Zatsarinny O. Transition and Electron Impact Excitation Collision Rates for OIII 2017 Astrophysical Journal 850 2 147   10.3847/1538-4357/aa9613
Wraith C.; Yang X.F.; Xie L. et al. Evolution of nuclear structure in neutron-rich odd-Zn isotopes and isomers 2017 Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics 771     385 10.1016/j.physletb.2017.05.085
Li W.; Jönsson P.; Brage T. et al. Magnetic-field- and hyperfine-induced P0 3 - S0 1 transitions in Be- and Ne-like ions 2017 Physical Review A 96 5 52508   10.1103/PhysRevA.96.052508
Miller A.J.; Minamisono K.; Rossi D.M. et al. First determination of ground state electromagnetic moments of Fe 53 2017 Physical Review C 96 5 54314   10.1103/PhysRevC.96.054314
Jönsson H.; Ryde N.; Nordlander T. et al. Abundances of disk and bulge giants from high-resolution optical spectra: I. O, Mg, Ca, and Ti in the solar neighborhood and Kepler field samples 2017 Astronomy and Astrophysics 598   A100   10.1051/0004-6361/201629128
Gustafsson S.; Jönsson P.; Froese Fischer C. et al. MCDHF and RCI calculations of energy levels, lifetimes and transition rates for 3l3l ′, 3l4l ′, and 3s5l states in Ca IX-As XXII and Kr XXV 2017 Astronomy and Astrophysics 597   A76   10.1051/0004-6361/201628768
Jönsson P.; Gaigalas G.; Rynkun P. et al. Multiconfiguration dirac-hartree-fock calculations with spectroscopic accuracy: Applications to astrophysics 2017 Atoms 5 2 16   10.3390/atoms5020016
Böning B.; Paufler W.; Fritzsche S. Attosecond streaking with twisted X waves and intense infrared pulses 2017 Physical Review A 96 4 43423   10.1103/PhysRevA.96.043423
Hibbert A. Calculation of rates of 4p-4d transitions in Ar II 2017 Atoms 5 1 8   10.3390/atoms5010008
Wu Z.W.; Volotka A.V.; Surzhykov A. et al. Angle-resolved x-ray spectroscopic scheme to determine overlapping hyperfine splittings in highly charged heliumlike ions 2017 Physical Review A 96 1 12503   10.1103/PhysRevA.96.012503
Brage T.; Grumer J. Resolving a discrepancy between experimental and theoretical lifetimes in atomic negative ions 2017 Journal of Physics B: Atomic, Molecular and Optical Physics 50 2 25001   10.1088/1361-6455/50/2/025001
Wilhelm R.A.; Gruber E.; Schwestka J. et al. Interatomic Coulombic Decay: The Mechanism for Rapid Deexcitation of Hollow Atoms 2017 Physical Review Letters 119 10 103401   10.1103/PhysRevLett.119.103401
Argenti L.; Jiménez Galán A.; Taïeb R. et al. Control of photoemission delay in resonant two-photon transitions 2017 Journal of Physics: Conference Series 875 3 22040   10.1088/1742-6596/875/3/022040
Zille D.; Seipt D.; Möller M. et al. Spin-dependent rescattering in strong-field ionization of helium 2017 Journal of Physics B: Atomic, Molecular and Optical Physics 50 6 65001   10.1088/1361-6455/aa5db1
Wang K.; Fernández-Menchero L.; Zatsarinny O. et al. Calculations for electron-impact excitation of Mg4+ 2017 Physical Review A 95 4 42709   10.1103/PhysRevA.95.042709
Hu X.-Q.; Chen Z.-B.; Wang Y. et al. Influence of residual ion polarization on the coplanar symmetric (e, 2e) cross sections for calcium and argon 2017 European Physical Journal D 71 4 81   10.1140/epjd/e2017-70809-3
Palmeri P.; Quinet P.; Lundberg H. et al. Lifetime measurements using two-step laser excitation for high-lying even-parity levels and improved theoretical oscillator strengths in Y II 2017 Monthly Notices of the Royal Astronomical Society 471 1   532 10.1093/mnras/stx1619
Zatsarinny O.; Bartschat K.; Nagy E. et al. Low-energy outer-shell photodetachment of the negative ion of aluminum 2017 Journal of Physics: Conference Series 875 3 22003   10.1088/1742-6596/875/3/022003
Wu D.; He X.T.; Yu W. et al. Monte Carlo approach to calculate proton stopping in warm dense matter within particle-in-cell simulations 2017 Physical Review E 95 2 23207   10.1103/PhysRevE.95.023207
Hu H.-W.; Chen Z.-B.; Chen W.-C. et al. Influence of semiclassical plasma on the energy levels and radiative transitions in highly charged ions 2017 European Physical Journal D 71 11 303   10.1140/epjd/e2017-70813-7
Zaytsev V.A.; Fritzsche S.; Surzhykov A. et al. Hyperfine induced effects on the angular distribution of the dielectronic hypersatellite line 2017 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 408     93 10.1016/j.nimb.2017.04.081
Si R.; Li S.; Wang K. et al. Electron impact excitation for He-like ions with Z = 20-42 2017 Astronomy and Astrophysics 600   A85   10.1051/0004-6361/201630027