Electron-impact excitation of Li to high principal quantum numbers

The time-dependent close-coupling method is used to calculate electron-impact excitation cross sections for the Li(2s)--{\textgreater}Li(nl) and Li(2p)--{\textgreater}Li(nl) transitions at incident energies just above the ionization threshold. The implementation of the time-dependent close-coupling method on a nonuniform lattice allows the study of continuum-coupling effects in excitations to high principal quantum number, i.e., n{\textless}=10. Good agreement is found with R-matrix with pseudostates calculations, which also include continuum-coupling effects, for excitations to low principal quantum number, i.e., n{\textless}=4. Poor agreement is found with standard distorted-wave calculations for excitations to all principal quantum numbers, with differences still at the 50% level for n=10. We are able to give guidance as to the accuracy expected in the n3 extrapolation of nonperturbative close-coupling calculations of low n cross sections and rate coefficients.

Electron-impact ionization of Al

Perturbative distorted-wave and non-perturbative close-coupling methods are used to calculate electron-impact ionization cross sections for the ground state of the neutral Al atom. Configuration-average distorted-wave calculations are made for both direct ionization and excitation-autoionization contributions. The total perturbative results are found to be almost a factor of 2 higher than experiment over a wide energy range. On the other hand, the R-matrix with pseudo-states results for total ionization are found to be in good agreement with experiment. Comparison of time-dependent close-coupling calculations for the direct ionization with the R-matrix with pseudo-state calculations for total ionization reveals that both the direct ionization and excitation-autoionization contributions are strongly affected by correlation effects.

Dirac R -matrix calculations of electron-impact excitation of neon-like krypton

We have employed the Dirac R -matrix method to determine electron-impact excitation cross sections and effective collision strengths in Ne-like Kr 26+ . Both the configuration-interaction expansion of the target and the close-coupling expansion employed in the scattering calculation included 139 levels up through n = 5. Many of the cross sections are found to exhibit very strong resonances, yet the effects of radiation damping on the resonance contributions are relatively small. Using these collisional data along with multi-configuration Dirac–Fock radiative rates, we have performed collisional-radiative modeling calculations to determine line-intensity ratios for various radiative transitions that have been employed for diagnostics of other Ne-like ions.

Electron-impact single ionization of Mg and Al+

Theory and experiment are compared for the electron-impact single ionization of Mg and Al+. Nonpertur- bative R matrix with pseudostates RMPS and time-dependent close-coupling TDCC calculations have been carried out that exhibit large reductions from perturbative distorted-wave results of 38% for Mg and 20% for Al+. Experimental single-ionization data available for Mg and Al+ are in reasonable accord with distorted-wave data and lie substantially above the new theoretical results. Rate coefficients, necessary for the collisional- radiative modeling of Mg and Al plasmas were generated from the RMPS ionization cross sections. In the collisional-ionization region near the ionization threshold, the resulting rates were found to be up to two times lower for Mg and three times lower for Al+ than the rates generated from experimental data.

The 2p interloper resonances in collisions

Ab initio electron scattering calculations using the R -matrix approach have been performed for within a three-state valence configuration-interaction model (VCI). The lowest three electronic target states ( , and the ) of this molecular nitrogen cation are included in the close-coupling method, with each state being represented by a valence CI approximation. From a detailed analysis of the resonance structure found in our work for the symmetries we find four prominent Rydberg series of the type , , , and a interloper resonance. This interloper molecular resonance associated with the B state of is seen to cause distortions of the resulting resonance spectra. A comparison of our total cross sections for the X - B transition shows excellent agreement with the available experimental data.

Dielectronic recombination of W 35 +

Accurate data for dielectronic recombination (DR) of the ions of tungsten are of significant interest in the modelling of tungsten impurity transport and radiative power loss in current tokamaks and in ITER. However, the complexity of the atomic structure for many of these ions makes level-resolved DR calculations untenable on currently available computers, especially for open d- and f-subshell ions. The majority of DR data presently available for ITER modelling are based on an average-atom approximation. To improve upon these baseline calculations, we investigate the use of the configuration-average distorted-wave (CADW) method to calculate DR rate coefficients for complex open d-shell systems. The aim is to produce rate coefficients that are sufficiently accurate in terms of modelling, yet greatly reduced in term of computational complexity compared to level-resolved calculations. In this paper, we consider the DR of W 35 + . Initially, we carry out several large-scale level-resolved calculations for the DR associated with the 4d → 4f and 4p → 4d excitations in this ion, using both the level-resolved distorted-wave and Dirac R -matrix methods. These calculations allow us to test the validity of the CADW approach on these same excitations by comparing cross sections and rate coefficients. These comparisons demonstrate that the CADW method is relatively accurate in relation to these level-resolved methods for the temperature range for which W 35 + should exist in a collisionally ionized plasma. We then present results for CADW rate coefficients for both Δ n = 0 and Δ n = 1 excitations for this ion. This study indicates that it is now feasible to generate a much improved comprehensive set of DR data for the entire tungsten isonuclear sequence.

Electron-impact excitation of beryllium and its ions

Inelastic electron scattering from light atomic species is of fundamental importance and has significant applications in fusion-plasma modeling. Therefore, it is of interest to apply advanced nonperturbative, close-coupling methods to the determination of electron-impact excitation for these atoms. Here we present the results of R matrix with pseudostate (RMPS) calculations of electron-impact excitation cross sections through the n=4 terms in Be, Be+, Be2+, and Be3+. In order to determine the effects of coupling of the bound states to the target continuum in these species, we compare the RMPS results with those from standard R-matrix calculations. In addition, we have performed time-dependent close-coupling calculations for excitation from the ground and the metastable terms of Be+ and the metastable term of Be3+. In general, these results are found to agree with those from our RMPS calculations. The full set of data resulting from this work is now available on the Oak Ridge National Laboratory Controlled Fusion Atomic Data Center web site, and will be employed for collisional-radiative modeling of Be in magnetically confined plasmas.

Electron-impact ionization of the C atom

Time-dependent close-coupling (TDCC), R-matrix-with-pseudostates (RMPS), and time-independent distorted-wave (TIDW) methods are used to calculate electron-impact ionization cross sections for the carbon atom. The TDCC and RMPS results for the 1s22s22p2 ground configuration are in reasonable agreement with the available experimental measurements, while the TIDW results are 30% higher. Ionization of the 1s22s2p3 excited configuration is performed using the TDCC, RMPS, and TIDW methods. Ionization of the 1s22s22p3l (l=0–2) excited configurations is performed using the TDCC and TIDW methods. The ionization cross sections for the excited configurations are much larger than for the ground state. For example, the peak cross section for the 1s22s22p3p excited configuration is an order of magnitude larger than the peak cross section for the 1s22s22p2 ground configuration. The TDCC results are again found to be substantially lower than the TIDW results. The ionization cross-section results will permit the generation of more accurate, generalized collisional-radiative ionization coefficients needed for modeling moderately dense carbon plasmas.

Electron-impact ionization of the metastable excited states of Li +

Electron-impact ionization cross sections for the 1s2s 1S and 1s2s 3S metastable states of Li+ are calculated using both perturbative distorted-wave and non-perturbative close-coupling methods. Term-resolved distorted-wave calculations are found to be approximately 15% above term-resolved R-matrix with pseudostates calculations. On the other hand, configuration-average time-dependent close-coupling calculations are found to be in excellent agreement with the configuration-average R-matrix with pseudostates calculations. The non-perturbative R-matrix and close-coupling calculations provide a benchmark for experimental studies of electron-impact ionization of metastable states along the He isoelectronic sequence.

The effects of radiative cascades on the x-ray diagnostic lines of Fe16+

We present complete collisional-radiative modelling results for the soft x-ray emission lines of Fe16+ in the 15 Å–17 Å range. These lines have been the subject of much controversy in the astrophysical and laboratory plasma community. Radiative transition rates are generated from fully relativistic atomic structure calculations. Electron-impact excitation cross sections are determined using a fully relativistic R-matrix method employing 139 coupled atomic levels through n = 5. We find that, in all cases, using a simple ratio of the collisional rate coefficient times a radiative branching factor is not sufficient to model the widely used diagnostic line ratios. One has to include the effects of collisional-radiative cascades in a population model to achieve accurate line ratios. Our line ratio results agree well with several previous calculations and reasonably well with tokamak experimental measurements, assuming a Maxwellian electron-energy distribution. Our modelling results for four EBIT line ratios, assuming a narrow Gaussian electron-energy distribution, are in generally poor agreement with all four NIST measurements but are in better agreement with the two LLNL measurements. These results suggest the need for an investigation of the theoretical polarization calculations that are required to interpret the EBIT line ratio measurements.

Electron-impact ionization of argon using the R-matrix with a pseudo-states method

Electron-impact ionization cross sections for argon are calculated using both non-perturbative R-matrix with pseudo-states (RMPS) and perturbative distorted-wave methods. At twice the ionization potential, the 3p(61)S ground-term cross section from a distorted-wave calculation is found to be a factor of 4 above crossed-beams experimental measurements, while with the inclusion of term-dependent continuum effects in the distorted-wave method, the perturbative cross section still remains almost a factor of 2 above experiment. In the case of ionization from the metastable 3p(5)4s(3)P term, the distorted-wave ionization cross section is also higher than the experimental cross section. On the other hand, the ground-term cross section determined from a nonperturbative RMPS calculation that includes 27 LS spectroscopic terms and another 282 LS pseudo-state terms to represent the high Rydberg states, and the target continuum is found to be in excellent agreement with experimental measurements, while the RMPS result is below the experimental cross section for ionization from the metastable term. We conclude that both continuum term dependence and interchannel coupling effects, which are included in the RMPS method, are important for ionization from the ground term, and interchannel coupling is also significant for ionization from the metastable term

Electron-impact excitation of Ar 2+

Context: Emission from Ar III is seen in planetary nebulae, in H II regions, and from laboratory plasmas. The analysis of such spectra requires accurate electron impact excitation data. Aims: The aim of this work is to improve the electron impact excitation data available for Ar2+, for application in studies of planetary nebulae and laboratory plasma spectra. The effects of the new data on diagnostic line ratios are also studied. Methods: Electron-impact excitation collision strengths have been calculated using the R-Matrix Intermediate-Coupling Frame-Transformation method and the R-Matrix Breit-Pauli method. Excitation cross sections are calculated between all levels of the configurations 3s^23p^4, 3s3p^5, 3p^6, 3p^53d, and 3s^23p^3nl (3d ≤ nl ≤ 5s). Maxwellian effective collision strengths are generated from the collision strength data. Results: Good agreement is found in the collision strengths calculated using the two R-Matrix methods. The collision strengths are compared with literature values for transitions within the 3s^23p4 configuration. The new data has a small effect on Te values obtained from the I(λ7135 Å+ λ7751 Å)/ I(λ5192 Å) line ratio, and a larger effect on the Ne values obtained from the I(λ7135 Å)/I(λ9 μm) line ratio. The final effective collision strength data is archived online.

Electron-impact ionization of the boron atom

Accurate knowledge of the electron-impact ionization of the B atom is urgently needed in current fusion plasma experiments to help design ITER wall components. Since no atomic measurements exist, nonperturba- tive time-dependent close-coupling (TDCC) calculations are carried out to accurately determine the direct ionization cross sections of the outer two subshells of B. Perturbative distorted-wave and semiempirical binary encounter calculations are found to yield cross sections from 26% lower to an order of magnitude higher than the current TDCC results. Unlike almost all neutral atoms, large excitation-autoionization contributions are found for the B atom. Nonperturbative R matrix with pseudostates (RMPS) calculations are also carried out to accurately determine the total ionization cross section of B. Previous 60 LS-term RMPS calculations are found to yield cross sections up to 40% higher than the current more extensive 476 LS-term RMPS results

Electron-impact ionization and recombination of M -shell atomic ions in the argon isonuclear sequence

Electron-impact ionization and recombination cross sections and rate coefficients are calculated for M-shell Ar atomic ions using a configuration-average distorted-wave method. The electron-impact ionization calcula- tions are for all atomic ions in the Ar isonuclear sequence. Ionization contributions include both direct ioniza- tion and excitation-autoionization processes. Good agreement is found between theory and experimental crossed-beam measurements for moderately charged ion stages. Comparisons are made with previous theoret- ical calculations where possible.We also generate rate coefficients for neutral argon ionization, based on recent R-matrix with pseudostates calculations. Electron-impact dielectronic recombination is calculated for all M-shell ions of argon. For Ar6+ and Ar7+ the current theoretical results agree well with previous level-resolved distorted-wave calculations. In order to compare with published ionization balance results our dielectronic recombination data are combined with literature values for the higher ion stages and with recent radiative recombination data for all the ion stages. We find significant differences in our equilibrium fractional abun- dances for the M-shell ions, compared with literature values. We relate these differences to the underlying atomic data.

Electron-impact ionization of B+

Electron-impact ionization cross sections are calculated for the ground and metastable states of B+. Com- parisons between perturbative distorted-wave and nonperturbative close-coupling calculations find reductions in the direct ionization cross sections due to long-range electron correlation effects of approximately 10% for the ground state and approximately 15% for the metastable state. Previous crossed-beams experiments, with a metastable to ground ratio of between 50% and 90%, are found to be in reasonable agreement with metastable state close-coupling results. New crossed-beams experiments, with a metastable to ground ratio of only 9%, are found to be in reasonable agreement with ground state close-coupling results. Combined with previous work on neutral B and B2+, the nonperturbative close-coupling calculations provide accurate ionization cross sections for the study of edge plasmas in controlled fusion research.