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We present absolute L-shell photoionisation cross sections for the S+, S2+, S3+ions. The cross sections were obtained using the monochromatised photon beam delivered by the SOLEIL synchrotron source coupled with an ion beam extracted from an electron cyclotron resonance source (ECRIS) in the merged dual-beam configuration. The cross sections for single, double and triple ionisation were measured and combined to generate total photoionisation cross sections. For each of the S+, S2+, S3+ ions, the photon energy regions corresponding to the excitation and ionisation of a 2p or a 2s electron (175-230 eV) were investigated. The experimental results are interpreted with the help of multiconfigurational Dirac-Fock (MCDF) and Breit-Pauli R-Matrix (BPRM) or Dirac R-Matrix (DARC) theoretical calculations. The former generates photoabsorption cross sections from eigenenergies and eigenfunctions obtained by solving variationally the multiconfiguration Dirac Hamiltonian while the latter calculate cross sections for photon scattering by atoms. The cross sectional spectra feature rich resonance structures with narrow natural widths (typically less than 100 meV) due to 2p to nd excitations below and up to the 2p thresholds. This behaviour is consistent with the large number of inner-shell states based on correlation and spin-orbit mixed configurations having three open subshells. Strong and wide (typically 1 eV) Rydberg series of resonances due to 2s to np excitations dominate above the 2p threshold., Comment: Submitted for publication in Journal of Physics B: Atomic, Molecular and Optical Physics

Direct detection of gravitational waves (GW) on Aug. 17, 2017, propagating from a binary neutron star merger, opened the era of multimessenger astronomy. The ejected material from neutron star mergers, or kilonova, is a good candidate for optical and near infrared follow-up observations after the detection of GWs. The kilonova from the ejecta of GW1780817 provided the first evidence for the astrophysical site of the synthesis of heavy nuclei through the rapid neutron capture process or rprocess. Since properties of the emission are largely affected by opacities of the ejected material, enhancements in the available, but limited rprocess atomic data have been motivated recently. However, given the complexity of the electronic structure of these heavy elements, considerable efforts are still needed to converge to a reliable set of atomic structure data. The aim of this work is to alleviate this situation for low charge state elements in the Os-like isoelectronic sequence. In this regard, the general purpose relativistic atomic structure packages (GRASP0 and GRASP2K) were used to obtain energy levels and transition probabilities (E1 and M1). We provide line lists and expansion opacities for a range of r-process elements. We focus here on the Os isoelectronic sequence (Os I, Ir II, Pt III, Au IV, Hg V). The results are benchmarked against existing experimental data and prior calculations, and predictions of emission spectra relevant to kilonovae are provided. Finestructure (M1) lines in the infrared potentially observable by the James Webb Space Telescope are highlighted.

We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$_2^+$) by the radiative association process in collisions of a C$(^3P)$ atom and a C$^+(^2P^o)$ ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$_2^+$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$_2^+$. Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about $2\times 10^{-18}$ cm$^3$/s. We provide analytical fits suitable for incorporation into astrochemical reaction databases., Comment: Accepted for publication ApJ

Experimental and theoretical cross sections are reported for single-photon single ionization of W$^{5+}$ ions. Absolute measurements were conducted employing the photon-ion merged-beams technique. Detailed photon-energy scans were performed at (67$\pm$10)~meV resolution in the 20 -- 160 eV range. In contrast to photoionization of tungsten ions in lower charge states, the cross section is dominated by narrow, densely-spaced resonances. Theoretical results were obtained from a Dirac-Coulomb R-matrix approach employing a basis set of 457 levels providing cross sections for photoionization of W$^{5+}$ ions in the $4f^{14}5s^2 5p^6 5d \; {^2}{\rm D}_{3/2}$ ground level as well as the $4f^{14}5s^2 5p^6 5d \; {^2}{\rm D}_{5/2}$ and $4f^{14}5s^2 5p^6 6s \; {^2}{\rm S}_{1/2}$ metastable excited levels. Considering the complexity of the electronic structure of tungsten ions in low charge states, the agreement between theory and experiment is satisfactory., Comment: 15 pages, 5 figures, 2 tables. Accepted for publication in J. Phys. B: At. Mol. Opt. Phys. arXiv admin note: text overlap with arXiv:1703.00892

Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C$_2$ molecules (dicarbon) during the collision of two ground state C($^3$P) atoms. We find that transitions originating in the C$\;^1\Pi_g$, d$\;^3\Pi_g$, and 1$\;^5\Pi_u$ states are the main contributors to the process. The results are compared and contrasted with previous results obtained from a semi-classical approximation. New ab initio potential curves and transition dipole moment functions have been obtained for the present work using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pCV5Z basis sets, substantially increasing the available molecular data on dicarbon. Applications of the current computations to various astrophysical environments and laboratory studies are briefly discussed focusing on these rates., Comment: Accepted ApJ

Fe II emission lines are observed from nearly all classes of astronomical objects over a wide spectral range from the infrared to the ultraviolet. To meaningfully interpret these lines, reliable atomic data are necessary. In work presented here we focused on low-lying fine-structure transitions, within the ground term, due to electron impact. We provide effective collision strengths together with estimated uncertainties as functions of temperature of astrophysical importance ($10 - 100,000$ K). Due to the importance of fine-structure transitions within the ground term, the focus of this work is on obtaining accurate rate coefficients at the lower end of this temperature range, for applications in low temperature environments such as the interstellar medium. We performed three different flavours of scattering calculations: i) a intermediate coupling frame transformation (ICFT) $R$-matrix method, ii) a Breit-Pauli (BP) $R$-matrix method, and iii) a Dirac $R$-matrix method. The ICFT and BP $R$-matrix calculations involved three different AUTOSTRUCTURE target models each. The Dirac $R$-matrix calculation was based on a reliable 20 configuration, 6069 level atomic structure model. Good agreement was found with our BP and Dirac $R$-matrix collision results compared to previous $R$-matrix calculations. We present a set of recommended effective collision strengths for the low-lying forbidden transitions together with associated uncertainty estimates., Comment: 8 pages, 8 figures, accepted for publication in MNRAS

We report the first full-dimensional potential energy surface (PES) and quantum mechanical close-coupling calculations for scattering of SiO due to H$_2$. The full-dimensional interaction potential surface was computed using the explicitly correlated coupled-cluster (CCSD(T)-F12b) method and fitted using an invariant polynomial approach. Pure rotational quenching cross sections from initial states $v_1=0$, $j_1$=1-5 of SiO in collision with H$_2$ are calculated for collision energies between 1.0 and 5000 cm$^{-1}$. State-to-state rotational rate coefficients are calculated at temperatures between 5 and 1000 K. The rotational rate coefficients of SiO with para-H$_2$ are compared with previous approximate results which were obtained using SiO-He PESs or scaled from SiO-He rate coefficients. Rovibrational state-to-state and total quenching cross sections and rate coefficients for initially excited SiO($v_1=1, j_1$=0 and 1) in collisions with para-H$_2$($v_2=0,j_2=0$) and ortho-H$_2$($v_2=0,j_2=1$) were also obtained. The application of the current collisional rate coefficients to astrophysics is briefly discussed.

Relative cross sections for the valence shell photoionisation (PI) of $\rm ^2S$ ground level and $\rm ^2D$ metastable Ca$^{+}$ ions were measured with high energy resolution by using the ion-photon merged-beams technique at the Advanced Light Source. Overview measurements were performed with a full width at half maximum bandpass of $\Delta E =17$~meV, covering the energy range 20~eV -- 56~eV. Details of the PI spectrum were investigated at energy resolutions reaching the level of $\Delta E=3.3$~meV. The photon energy scale was calibrated with an uncertainty of $\pm5$~meV. By comparison with previous absolute measurements %by Kjeldsen et al in the energy range 28~eV -- 30.5~eV and by Lyon et al in the energy range 28~eV -- 43~eV the present experimental high-resolution data were normalised to an absolute cross-section scale and the fraction of metastable Ca$^{+}$ ions that were present in the parent ion beam was determined to be 18$\pm$4\%. Large-scale R-matrix calculations using the Dirac Coulomb approximation and employing 594 levels in the close-coupling expansion were performed for the Ca$^{+}(3s^23p^64s~^2\textrm{S}_{1/2})$ and Ca$^{+}(3s^2 3p^6 3d~^2\textrm{D}_{3/2,5/2})$ levels. The experimental data are compared with the results of these calculations and previous theoretical and experimental studies., Comment: 19 pages, 14 figures, 3 tables

Accurate molecular data for the low-lying states of SiO are computed and used to calculate rate constants for radiative association of Si and O. Einstein A-coefficients are also calculated for transitions between all of the bound and quasi-bound levels for each molecular state. The radiative widths are used together with elastic tunneling widths to define effective radiative association rate constants which include both direct and indirect (inverse predissociation) formation processes. The indirect process is evaluated for two kinetic models which represent limiting cases for astrophysical environments. The first case scenario assumes an equilibrium distribution of quasi-bound states and would be applicable whenever collisional and/or radiative excitation mechanisms are able to maintain the population. The second case scenario assumes that no excitation mechanisms are available which corresponds to the limit of zero radiation temperature and zero atomic density. Rate constants for SiO formation in realistic astrophysical environments would presumably lie between these two limiting cases., Comment: To appear in MNRAS

Measurements of the single photoionization cross section of Cu-like Zn$^+$ ions are reported in the energy (wavelength) range 17.5 eV (709 \AA) to 90 eV (138 \AA). The measurements on this {\it trans}-Fe element were performed at the Advanced Light Source synchrotron radiation facility in Berkeley, California at a photon energy resolution of 17 meV using the photon-ion merged-beams end-station. Below 30 eV the spectrum is dominated by excitation autoionizing resonance states. The experimental results are compared with large-scale photoionization cross-section calculations performed using a Dirac-Coulomb $R$-matrix approximation. Comparison are made with previous experimental studies, resonance states are identified and contributions from metastable states of Zn$^+$ determined., Comment: 15 pages, 5 figures, 7 tables, accepted for publication in MNRAS

Experimental and theoretical results are reported for single-photon single ionization of the tungsten ion W$^{4+}$. Absolute cross sections have been measured employing the photon-ion merged-beams setup at the Advanced Light Source in Berkeley. Detailed photon-energy scans were performed at 200~meV bandwidth in the 40 -- 105~eV range. Theoretical results have been obtained from a Dirac-Coulomb R-matrix approach employing basis sets of 730 levels for the photoionization of W$^{4+}$. Calculations were carried out for the $4f^{14}5s^2 5p^6 5d^2 \; {^3}{\rm F}_{J}$, $J$=2, ground level and the associated fine-structure levels with $J$=3 and 4 for the W$^{4+}$ ions. In addition, cross sections have been calculated for the metastable levels $4f^{14}5s^2 5p^6 5d^2 \; {^3}{\rm P}_{0,1,2},{^1}{\rm D}_{2},{^1}{\rm G}_{4},{^1}{\rm S}_{0}$. Very satisfying agreement of theory and experiment is found for the photoionization cross section of W$^{4+}$ which is remarkable given the complexity of the electronic structure of tungsten ions in low charge states., Comment: 15 pages, 3 figures, to appear in the Journal of Physics B: Atomic, Molecular and Optical Physics

Our computation effort is primarily concentrated on support of current and future measurements being carried out at various synchrotron radiation facilities around the globe, and photodissociation computations for astrophysical applications. In our work we solve the Schr\"odinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach from first principles. The time dependent close-coupling (TDCC) method is also used in our work. A brief summary of the methodology and ongoing developments implemented in the R-matrix suite of Breit-Pauli and Dirac-Atomic R-matrix codes (DARC) is presented., Comment: 17 pages, 10 figures: chapter in the book, High Performance Computing in Science and Engineering'16, edited by W. E. Nagel, D. B. Kr\"oner, and M. Reich (Springer, New York and Berlin, 2017)

Absolute cross sections for the {\it K}-shell photoionisation of Be-like (O$^{4+}$) and Li-like (O$^{5+}$) atomic oxygen ions were measured for the first time (in their respective {\it K}-shell regions) by employing the ion-photon merged-beam technique at the SOLEIL synchrotron-radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/$\Delta$E $\approx$ 3200 ($\approx$ 170 meV, FWHM)was achieved with photon energy from 550 eV up to 670 eV. Rich resonance structure observed in the experimental spectra is analysed using the R-matrix with pseudo-states (RMPS) method. Results are also compared with the screening constant by unit nuclear charge (SCUNC) calculations. We characterise and identify the strong $\rm 1s \rightarrow 2p$ resonances for both ions and the weaker $\rm 1s \rightarrow np$ resonances ($ n \ge 3$) observed in the {\it K}-shell spectra of O$^{4+}$., Comment: 6 figures, 7 Tables, accepted for publication in MNRAS

Radiative charge exchange collisions between a carbon atom C(${}^3$P) and a helium ion He+, both in their ground state, are investigated theoretically. Detailed quantum chemistry calculations are carried out to obtain potential energy curves and transition dipole matrix elements for doublet and quartet molecular states of the HeC+ cation. Radiative charge transfer cross sections and rate coefficients are calculated and are found at thermal and lower energies to be large compared to those for direct charge transfer. The present results might be applicable to modelling the complex interplay of [C II] (or C+), C, and CO at the boundaries of interstellar photon dominated regions (PDRs) and in xray dominated regions (XDRs), where the abundance of He+ affects the abundance of CO., Comment: revised two figs., added one fig

Collision strengths for electron-impact of fine-structure level excitation within the ground term of Ne$^{+}$ and Ne$^{2+}$ are calculated using the Breit-Pauli, Intermediate Coupling Frame Transformation, and DARC $R$-matrix methods. Maxwellian-averaged effective collision strengths and excitation rate coefficient qij are presented for each. The application of the current calculations is to very low temperature astrophysical plasmas, thus we examine the sensitivity of the effective collision strengths down to 10 K. The use of the various theoretical methods allows us to place estimated uncertainties on the recommended effective collision strengths. We also investigate the sensitivity of the collision strengths to the resonance positions and underlying atomic structure. Good agreement is found with previous R-matrix calculations at higher temperature., Comment: 8 Figures, 5 tables. Accepted for publication in MNRAS

Photodissociation cross sections for the SH$^+$ radical are computed from all rovibrational (RV) levels of the ground electronic state X$~^3\Sigma^-$ for wavelengths from threshold to 500~\AA. The five electronic transitions, $2~ ^3\Sigma^- \leftarrow$ X$~^3\Sigma^-$, $3~ ^3\Sigma^- \leftarrow$ X$~^3\Sigma^-$, $A~ ^3\Pi \leftarrow$ X$~^3\Sigma^-$, $2~ ^3\Pi \leftarrow$ X$~^3\Sigma^-$, and $3~ ^3\Pi \leftarrow$ X$~^3\Sigma^-$, are treated with a fully quantum-mechanical two-state model, {i.e. no non-adiabatic coupling between excited states was included in our work.}. The photodissociation calculations incorporate adiabatic potentials and transition dipole moment functions computed in the multireference configuration interaction approach along with the Davidson correction (MRCI+Q), but adjusted to match available experimental molecular data and asymptotic atomic limits. Local thermodynamic equilibrium (LTE) photodissociation cross sections were computed which assume a Boltzmann distribution of RV levels in the X$~^3\Sigma^-$ molecular state of the SH$^+$ cation. The LTE cross sections are presented for temperatures in the range 1000-10,000~K. Applications of the current photodissociation cross sections to interstellar gas, photon-dominated regions, and stellar atmospheres are briefly discussed., Comment: 21 pages, 13 figures, 2 tables. Accepted in J Phys. B: At. Mol. Opt. Phys. for the special issue on Atomic and molecular data for astrophysics

Experimental and theoretical results are reported for single-photon single ionization of W$^{2+}$ and W$^{3+}$ tungsten ions. Experiments were performed at the photon-ion merged-beam setup of the Advanced Light Source in Berkeley. Absolute cross sections and detailed energy scans were measured over an energy range from about 20~eV to 90~eV at a bandwidth of 100~meV. Broad peak features with widths typically around 5~eV have been observed with almost no narrow resonances present in the investigated energy range. Theoretical results were obtained from a Dirac-Coulomb $R$-matrix approach. The calculations were carried out for the lowest-energy terms of the investigated tungsten ions with levels ${\rm 5s^2 5p^6 5d^4 \; {^5}D}_{J}$ $J=0,1,2,3,4$ for W$^{2+}$ and ${\rm 5s^2 5p^6 5d^3 \; {^4}F}_{J^{\prime}}$ $J^{\prime}=3/2, 5/2, 7/2, 9/2$ for W$^{3+}$. Assuming a statistically weighted distribution of ions in the initial ground-term levels there is good agreement of theory and experiment for W$^{3+}$ ions. However, for W$^{2+}$ ions at higher energies there is a factor of approximately two difference between experimental and theoretical cross sections., Comment: 16 pages, 6 figures, accepted for publication in J. Phys. B: At. Mol. Opt. Phys

Experimental and theoretical results are reported for photoionization of Ta-like (W$^{+}$) tungsten ions. Absolute cross sections were measured in the energy range 16 to 245 eV employing the photon-ion merged-beam setup at the Advanced Light Source in Berkeley. Detailed photon-energy scans at 100 meV bandwidth were performed in the 16 to 108 eV range. In addition, the cross section was scanned at 50 meV resolution in regions where fine resonance structures could be observed. Theoretical results were obtained from a Dirac-Coulomb R-matrix approach. Photoionization cross section calculations were performed for singly ionized atomic tungsten ions in their $5s^2 5p^6 5d^4({^5}D)6s \; {^6}{\rm D}_{J}$, $J$=1/2, ground level and the associated excited metastable levels with $J$=3/2, 5/2, 7/2 and 9/2. Since the ion beams used in the experiments must be expected to contain long-lived excited states also from excited configurations, additional cross-section calculations were performed for the second-lowest term, $5d^5 \; ^6{\rm S}_{J}$, $J$=5/2, and for the $^4$F term, $5d^3 6s^2 \; ^4{\rm F}_{J}$, with $J$ = 3/2, 5/2, 7/2 and 9/2. Given the complexity of the electronic structure of W$^+$ the calculations reproduce the main features of the experimental cross section quite well., Comment: 23 pages, 7 figures, 1 table: Accepted for publication in J. Phys. B: At. Mol. & Opt. Phys

Radiative decay processes at cold and ultra cold temperatures for Sulfur atoms colliding with protons are investigated. The MOLPRO quantum chemistry suite of codes was used to obtain accurate potential energies and transition dipole moments, as a function of internuclear distance, between low-lying states of the SH$^{+}$ molecular cation. A multi-reference configuration-interaction (MRCI) approximation together with the Davidson correction is used to determine the potential energy curves and transition dipole moments, between the states of interest, where the molecular orbitals (MO's) are obtained from state-averaged multi configuration-self-consistent field (MCSCF) calculations. The collision problem is solved approximately using an optical potential method to obtain radiative loss, and a fully two-channel quantum approach for radiative charge transfer. Cross sections and rate coefficients are determined for the first time for temperatures ranging from 10 $\mu$ K up to 10,000 K. Results are obtained for all isotopes of Sulfur, colliding with H$^{+}$ and D$^{+}$ ions and comparison is made to a number of other collision systems., Comment: 16 pages, 9 figures, accepted for publication in J Phys B: At. Mol. Opt. Phys

We report on experimental and theoretical results for the photoionization of Ag-like xenon ions, Xe$^{7+}$, in the photon energy range 95 to 145~eV. The measurements were carried out at the Advanced Light Source at an energy resolution of $\Delta$E = 65 meV with additional measurements made at $\Delta$E = 28 meV and 39 meV. Small resonance features below the ground-state ionization threshold, at about 106 eV, are due to the presence of metastable Xe$^{7+} (4d^{10} 4f~^2{\rm F}^{\circ}_{5/2,7/2})$ ions in the ion beam. On the basis of the accompanying theoretical calculations using the Dirac Atomic R-matrix Codes (DARC), an admixture of only a few percent of metastable ions in the parent ion beam is inferred, with almost 100\% of the parent ions in the $(4d^{10}5s ~^2{\rm S_{1/2}})$ ground level. The cross-section is dominated by a very strong resonance associated with $4d \rightarrow 5f$ excitation and subsequent autoionization. This prominent feature in the measured spectrum is the $4d^95s5f ~^2{\rm P}^{\circ}$ resonance located at (122.139 $\pm$ 0.01)~eV. An absolute peak cross-section of 1.2 Gigabarns was measured at 38 meV energy resolution. The experimental natural width $\Gamma$ = 76 $\pm$ 3 meV of this resonance compares well with the theoretical estimate of 88 meV obtained from the DARC calculation with 249 target states. Given the complexity of the system, overall satisfactory agreement between theory and experiment is obtained for the photon energy region investigated., Comment: 19 pages, 6 figures, accepted to appear in J. Phys. B: At. Mol. & Opt. Phys

The absolute single photoionization cross-section was measured for Cl-like K$^{2+}$ over the photon energy range from 44.2 - 69.7 eV at a constant energy resolution of 0.045 eV. The experiments were performed by merging an ion beam with a beam of synchrotron radiation from an undulator. The ground-state ionization threshold was measured at 0.004 eV energy resolution to be 45.717 $\pm$ 0.030 eV. The measurements are rich in resonance structure due to multiple Rydberg series of transitions to autoionizing states. These series are assigned spectroscopically using the quantum defect method, guided by pseudo-relativistic Hartree-Fock calculations for the energies and oscillator strengths of transitions to autoionizing states. The experimental results, which include significant contributions from K$^{2+}$ ions initially in metastable states, are in satisfactory agreement with a linear superposition of semi-relativistic R-matrix calculations of photoionization cross sections from these initial states., Comment: Accepted for publication in Physical Review A: 25 pages, 15 figures, 5 Tables, 2 appendices

Absolute cross sections for the K-shell photoionization of Be-like boron ions were measured with the ion-photon merged-beams technique at the Advanced Light Source synchrotron radiation facility. High-resolution spectroscopy with E/$\Delta$E up to 8800 ($\Delta$E $\sim$ 22 meV) covered the energy ranges 193.7 -- 194.7 eV and 209 -- 215 eV. Lifetimes of the strongest resonances are determined with relative uncertainties down to approximately 4% for the broadest resonance. The measured resonance strengths are consistent with 60 % $\rm 1s^22s^2$ $^1S$ ground-state and 40 % $\rm 1s^22s2p$ $^3P^o$ metastable-state ions in the primary ion beam and confirmed by comparison with independent absolute photo-recombination heavy-ion storage-ring measurements with B$^{2+}$ ions using the principle of detailed balance. Experimental determination of the line width for the $\rm 1s2s^22p$ $^1$P$^{\rm o}$ resonance gives a value of 47 $\pm$ 2 meV and compares favourably to a theoretical estimate of 47 meV from the R-matrix with pseudo-states (RMPS) method. The measured line widths of the $\rm 1s2s2p^2$ $^3$P, $^3$D resonances are 10.0 $\pm$ 2 meV and 32 $\pm$ 3meV, respectively, compared to RMPS theoretical estimates of 9 meV and 34 meV., Comment: 23 pages, 6 figures, 2 tables, accepted for publication in J. Phys. B

Ultracold hybrid ion-atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss and has been measured experimentally for the Yb$^{+}$ ion immersed in a Rb vapour. We use first-principles quantum chemistry codes to obtain the potential energy curves and dipole moments for the lowest-lying energy states of this complex. Calculations for the radiative decay processes cross sections and rate coefficients are presented for the total decay processes. Comparing the semi-classical Langevin approximation with the quantum approach, we find it provides a very good estimate of the background at higher energies. The results demonstrate that radiative decay mechanisms are important over the energy and temperature region considered. In fact, the Langevin process of ion-atom collisions dominates cold ion-atom collisions. For spin dependent processes \cite{kohl13} the anisotropic magnetic dipole-dipole interaction and the second-order spin-orbit coupling can play important roles, inducing couplingbetween the spin and the orbital motion. They measured the spin-relaxing collision rate to be approximately 5 orders of magnitude higher than the charge-exchange collision rate \cite{kohl13}. Regarding the measured radiative charge transfer collision rate, we find that our calculation is in very good agreement with experiment and with previous calculations. Nonetheless, we find no broad resonances features that might underly a strong isotope effect. In conclusion, we find, in agreement with previous theory that the isotope anomaly observed in experiment remains an open question., Comment: 7 figures, 1 table accepted for publication in J. Phys. B: At. Mol. Opt. Phys. arXiv admin note: text overlap with arXiv:1107.1141

Absolute cross sections for the {\it K}-shell photoionization of boron-like (B-like) O$^{3+}$ ions were measured by employing the ion-photon merged-beam technique at the SOLEIL synchrotron-radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/$\Delta$E $\approx$ 5000 ($\approx$ 110 meV, FWHM) was achieved with photon energy from 540 eV up to 600 eV. Several theoretical approaches, including R-Matrix, Multi-Configuration Dirac-Fock and Screening Constant by Unit Nuclear Charge were used to identify and characterize the strong 1s $\rightarrow$ 2p and the weaker 1s $\rightarrow$ 3p resonances observed in the {\it K}-shell spectra of this ion. The trend of the integrated oscillator strength and autoionisation width (natural line width) of the strong $\rm 1s \rightarrow 2p$ resonances along the first few ions of the B-like sequence is discussed., Comment: 23 pages, 5 figures, 5 tables, accepted for publication in J. Phys. B. arXiv admin note: text overlap with arXiv:1402.0519

Measurements of absolute cross sections for the {\it K}-shell photoionization of B-like atomic nitrogen ions were carried out utilizing the ion-photon merged-beam technique at the SOLEIL synchrotron radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/$\Delta$E $\approx$ 13,500 was the maximum resolution achieved. We have investigated two photon energy regions: 404 eV -- 409 eV and 439 eV -- 442 eV. Resonance peaks found in the experimental measured cross sections are compared with theoretical estimates from the multi-configuration Dirac - Fock, R-matrix and empirical methods, allowing identification of the strong 1s $\rightarrow$ 2p and the weaker 1s $\rightarrow$ 3p resonances in the observed {\it K}-shell spectra of this B-like nitrogen ion., Comment: 16 pages, 3 figures, 2 tables: Accepted for publication in J. Phys. B: At. Mol. & Opt. Phys. arXiv admin note: substantial text overlap with arXiv:1308.6795

Absolute cross sections for the {\it K}-shell photoionization of Be-like and Li-like atomic nitrogen ions were measured by employing the ion-photon merged-beam technique at the SOLEIL synchrotron radiation facility in Saint-Aubin, France. High-resolution spectroscopy at nominal resolutions of 38 meV, 56 meV, 111 meV, 133 meV FWHM for Be-like and 125 meV FWHM for Li-like atomic nitrogen ions was achieved for the photon energies ranging from 410 eV up to 460 eV. The experimental measurements are compared with theoretical estimates from the multi-configuration Dirac-Fock (MCDF), R-matrix and an empirical method. The interplay between experiment and theory enabled the identification and characterisation of the strong 1s $\rightarrow$ 2p resonances features observed in the {\it K}-shell spectra of each ion and the region around 460 eV for the 1s $\rightarrow$ 3p resonance of the N$^{3+}$ ion yielding suitable agreement with experiment., Comment: 22 pages, 5 figures, 3 Tables. J. Phys. B: At. Mol.Opt. Phys. (2013) in press

Photoabsorption of atomic oxygen in the energy region below the $\rm 1s^{-1}$ threshold in x-ray spectroscopy from {\it Chandra} and {\it XMM-Newton} is observed in a variety of x-ray binary spectra. Photoabsorption cross sections determined from an R-matrix method with pseudo-states (RMPS) and new, high precision measurements from the Advanced Light Source (ALS) are presented. High-resolution spectroscopy with E/$\Delta$E $\approx$ 4,250 $\pm$ 400 was obtained for photon energies from 520 eV to 555 eV at an energy resolution of 124 $\pm$ 12 meV FWHM. {\it K}-shell photoabsorption cross-section measurements were made with a re-analysis of previous experimental data on atomic oxygen at the ALS. Natural linewidths $\Gamma$ are extracted for the $\rm 1s^{-1}2s^22p^4 (^4P)np ^3P^{\circ}$ and $\rm 1s^{-1}2s^22p^4(^2P)np ~^3P^{\circ}$ Rydberg resonances series and compared with theoretical predictions. Accurate cross sections and linewidths are obtained for applications in x-ray astronomy. Excellent agreement between theory and the ALS measurements is shown which will have profound implications for the modelling of x-ray spectra and spectral diagnostics., Comment: Accepted for publication in Ap J Letters; 4 figures and a table

The success of the R-matrix with pseudo-state (RMPS) method to model single photoionization processes, benchmarked against dedicated synchrotron light source measurements, is exploited and extended to investigate, single photon double ionization cross-sections for the He-like, Li$^+$ ion. We investigate these processes from both the ground state and the excited $\rm 1s2s^{1,3}S$ metastable levels of this He-like system. Comparisons of the results from the R-matrix plus pseudo-state (RMPS) method are made with other state-of-the-art theoretical approaches such as time-dependent close-coupling (TDCC), B-splines and the convergent close-coupling (CCC). Excellent agreement with various other theoretical approaches are achieved but differences occur which are high-lighted and discussed. For the ground state the peak of the cross section is $\sim$ 2 kilo-barns (Kb), that for the $\rm 1s2s^{1}S$ state is $\sim$ 6 Kb and $\sim$ 1 Kb for the corresponding $\rm 1s2s^{3}S$ state. All the cross sections for single photon double ionization are extremely small, being in the region of 2Kb -- 10 Kb, or less, rendering their experimental determination extremely challenging., Comment: 7 figures, accepted for publicatio in J. Phys. B: At. Mol. & Opt. Phys

Photoionization of Kr$^+$ ions was studied in the energy range from 23.3 eV to 39.0 eV at a photon energy resolution of 7.5 meV. Absolute measurements were performed by merging beams of Kr$^+$ ions and of monochromatized synchrotron undulator radiation. Photoionization (PI) of this Br-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Resonance features observed in the experimental spectra are spectroscopically assigned and their energies and quantum defects tabulated. The high-resolution cross-section measurements are benchmarked against state-of-the-art theoretical cross-section calculations from the Dirac-Coulomb R-matrix method., Comment: 13 pages, 5 figures, 5 tables, Physical Review A, accepted for publication; Physical Review A (2012)

Absolute cross sections for the K-shell photoionization of ground-state Li-like carbon [C$^{3+}$(1s$^2$2s $^2$S)] ions were measured by employing the ion-photon merged-beams technique at the Advanced Light Source. The energy ranges 299.8--300.15 eV, 303.29--303.58 eV and 335.61--337.57 eV of the [1s(2s2p)$^3$P]$^2$P, [1s(2s2p)$^1$P]$^2$P and [(1s2s)$^3$S 3p]$^2$P resonances, respectively, were investigated using resolving powers of up to 6000. The autoionization linewidth of the [1s(2s2p)$^1$P]$^2$P resonance was measured to be $27 \pm 5$ meV and compares favourably with a theoretical result of 26 meV obtained from the intermediate coupling R-Matrix method. The present photoionization cross section results are compared with the outcome from photorecombination measurements by employing the principle of detailed balance., Comment: 3 figures and 2 tables

High-resolution photoionization experiments were carried out using beams of Be-like C$^{2+}$, N$^{3+}$, and O$^{4+}$ ions with roughly equal populations of the $^1$S ground-state and the $^3$P$^o$ manifold of metastable components. The energy scales of the experiments are calibrated with uncertainties of 1 to 10 meV depending on photon energy. Resolving powers beyond 20,000 were reached allowing for the separation of contributions from the individual metastable $^3$P$^o_0$, $^3$P$^o_1$, and $^3$P$^o_2$ states. The measured data compare favourably with semi-relativistic Breit-Pauli R-matrix, Comment: 23 figures and 3 tables

Absolute cross sections for the K-shell photoionization of ground-state Li-like boron [B$^{2+}$(1s$^2$2s $^2$S)] ions were measured by employing the ion-photon merged-beams technique at the Advanced Light Source synchrotron radiation facility. The energy ranges 197.5--200.5 eV, 201.9--202.1 eV of the [1s(2s\,2p)$^3$P]$^2$P${\rm ^o}$ and [1s(2s\,2p)$^1$P] $^2$P${\rm ^o}$ resonances, respectively, were investigated using resolving powers of up to 17\,600. The energy range of the experiments was extended to about 238.2 eV yielding energies of the most prominent [1s(2$\ell$\,n$\ell^{\prime}$)]$^2$P$^o$ resonances with an absolute accuracy of the order of 130 ppm. The natural linewidths of the [1s(2s\,2p)$^3$P] $^2$P${\rm ^o}$ and [1s(2s\,2p)$^1$P] $^2$P${\rm ^o}$ resonances were measured to be $4.8 \pm 0.6$ meV and $29.7 \pm 2.5$ meV, respectively, which compare favourably with theoretical results of 4.40 meV and 30.53 meV determined using an intermediate coupling R-matrix method., Comment: 6 figures and 2 tables

Absolute cross-section measurements for valence-shell photoionization of Ar$^{+}$ ions are reported for photon energies ranging from 27.4 eV to 60.0 eV. The data, taken by merging beams of ions and synchrotron radiation at a photon energy resolution of 10 meV, indicate that the primary ion beam was a statistically weighted mixture of the $^2P^o_{3/2}$ ground state and the $^2P^o_{1/2}$ metastable state of Ar$^{+}$. Photoionization of this C$\ell$-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Observed resonance lineshapes indicate interference between indirect and direct photoionization channels. Resonance features are spectroscopically assigned and their energies and quantum defects are tabulated. The measurements are satisfactorily reproduced by theoretical calculations based on an intermediate coupling semi-relativistic Breit-Pauli approximation., Comment: 11 pages, 10 figures, 6 Tables

Absolute {\it K}-shell photoionization cross sections for atomic nitrogen have been obtained from both experiment and state-of-the-art theoretical techniques. Due to the difficulty of creating a target of neutral atomic nitrogen, no high-resolution {\it K}-edge spectroscopy measurements have been reported for this important atom. Interplay between theory and experiment enabled identification and characterization of the strong $1s$ $\rightarrow$ $np$ resonance features throughout the threshold region. An experimental value of 409.64 $\pm$ 0.02 eV was determined for the {\it K}-shell binding energy., Comment: 4 pages, 2 graphs, 1 table

Absolute cross sections for the K-shell photoionization of C-like nitrogen ions were measured by employing the ion-photon merged-beam technique at the SOLEIL synchrotron radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/$\Delta$E $\approx$ 7,000 was achieved with the photon energy from 388 to 430 eV scanned with a band pass of 300 meV, and the 399.4 to 402 eV range with 60 meV. Experimental results are compared with theoretical predictions made from the multi-configuration Dirac-Fock (MCDF) and R-matrix methods. The interplay between experiment and theory enabled the identification and characterization of the strong 1s $\rightarrow$ 2p resonances observed in the spectra., Comment: 7 pages, 3 figures, 2 tables

Photoionization cross sections calculations on the halogen-like ions; Kr$^+$ and Xe$^+$ have been performed for a photon energy range from each ion threshold to 15 eV, using large-scale close-coupling calculations within the Dirac-Coulomb R-matrix approximation. The results from our theoretical work are compared with recent measurements made at the ASTRID merged-beam set-up at the University of Aarhus in Denmark and from the Fourier transform ion cyclotron resonance (FT-ICR) trap method at the SOLEIL synchrotron radiation facility in Saint-Aubin, France and the Advanced Light Soure (ALS). For each of these complex ions our theoretical cross section results over the photon energy range investigated are seen to be in excellent agreement with experiment. Resonance energy positions and quantum defects of the prominent Rydberg resonances series identified in the spectra are compared with experiment for these complex halogen like-ions., Comment: Accepted for publication

In order to study ultracold charge-transfer processes in hybrid atom-ion traps, we have mapped out the potential energy curves and molecular parameters for several low lying states of the Rb, Yb$^+$ system. We employ both a multi-reference configuration interaction (MRCI) and a full configuration interaction (FCI) approach. Turning points, crossing points, potential minima and spectroscopic molecular constants are obtained for the lowest five molecular states. Long-range parameters, including the dispersion coefficients are estimated from our {\it ab initio} data. The separated-atom ionization potentials and atomic polarizability of the ytterbium atom ($\alpha_d=128.4$ atomic units) are in good agreement with experiment and previous calculations. We present some dynamical calculations for (adiabatic) scattering lengths for the two lowest (Yb,Rb$^+$) channels that were carried out in our work. However, we find that the pseudo potential approximation is rather limited in validity, and only applies to nK temperatures. The adiabatic scattering lengths for both the triplet and singlet channels indicate that both are large and negative in the FCI approximation., Comment: 8 pages, 3 figures, 5 tables

The five J$\Pi$ levels within a $np^2$ or $np^4$ ground state complex provide an excellent testing ground for the comparison of theoretical line ratios with astrophysically observed values, in addition to providing valuable electron temperature and density diagnostics. The low temperature nature of the line ratios ensure that the theoretically derived values are sensitive to the underlying atomic structure and electron-impact excitation rates. Previous R-matrix calculations for the Ne$^{2+}$ O-like ion exhibit large spurious structure in the cross sections at higher electron energies, which may affect Maxwellian averaged rates even at low temperatures. Furthermore, there is an absence of comprehensive excitation data between the excited states that may provide newer diagnostics to compliment the more established lines discussed in this paper. To resolve these issues, we present both a small scale 56-level Breit-Pauli (BP) calculation and a large-scale 554 levels R-matrix Intermediate Coupling Frame Transformation (ICFT) calculation that extends the scope and validity of earlier JAJOM calculations both in terms of the atomic structure and scattering cross sections. Our results provide a comprehensive electron-impact excitation data set for all transitions to higher $n$ shells. The fundamental atomic data for this O-like ion is subsequently used within a collisional radiative framework to provide the line ratios across a range of electron temperatures and densities of interest in astrophysical observations., Comment: 17 pages, 8 figures

K-shell photoabsorption cross sections for the isonuclear C I - C IV ions have been computed using the R-matrix method. Above the K-shell threshold, the present results are in good agreement with the independent-particle results of Reilman & Manson (1979). Below threshold, we also compute the strong 1s -> np absorption resonances with the inclusion of important spectator Auger broadening effects. For the lowest 1s -> 2p, 3p resonances, comparisons to available C II, C III, and C IV experimental results show good agreement in general for the resonance strengths and positions, but unexplained discrepancies exist. Our results also provide detailed information on the C I K-shell photoabsorption cross section including the strong resonance features, since very limited laboratory experimental data exist. The resultant R-matrix cross sections are then used to model the Chandra X-ray absorption spectrum of the blazar Mkn 421.

Spectroscopy of planetary nebulae (PNe) provides the means to investigate s-process enrichments of neutron(n)-capture elements that cannot be detected in asymptotic giant branch (AGB) stars. However, accurate abundance determinations of these elements present a challenge. Corrections for unobserved ions can be large and uncertain, since in many PNe only one ion of a given n-capture element has been detected. Furthermore, the atomic data governing the ionization balance of these species are not well-determined, inhibiting the derivation of accurate ionization corrections. We present initial results of a program that addresses these challenges. Deep high resolution optical spectroscopy of ~20 PNe has been performed to detect emission lines from trans-iron species including Se, Br, Kr, Rb, and Xe. The optical spectral region provides access to multiple ions of these elements, which reduces the magnitude and importance of uncertainties in the ionization corrections. In addition, experimental and theoretical efforts are providing determinations of the photoionization cross-sections and recombination rate coefficients of Se, Kr, and Xe ions. These new atomic data will make it possible to derive robust ionization corrections for these elements. Together, our observational and atomic data results will enable n-capture element abundances to be determined with unprecedented accuracy in ionized nebulae., Comment: 6 pages, 6 figures, to appear in "The Origin of the Elements Heavier than Fe", Sep 25-27, 2008, Turin, Italy, PASA, eds. John C. Lattanzio and M. Lugaro