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Context. Realistic 3D time-dependent simulations of stellar near-surface convection employ the opacity binning method for efficient and accurate computation of the radiative energy exchange. The method provides several orders of magnitude of speed-up, but its implementation includes a number of free parameters. Aims. Our aim is to evaluate the accuracy of the opacity binning method as a function of the choice of these free parameters. Methods. The monochromatic opacities computed with the SYNSPEC code are used to construct opacity distribution function (ODF) that is then verified through detailed comparison with the results of the ATLAS code. The opacity binning method is implemented with the SYNSPEC opacities for four representative cool main-sequence stellar spectral types (F3V, G2V, K0V, and M2V). Results. The ODFs from SYNSPEC and ATLAS show consistent results for the opacity and bolometric radiative energy exchange rate Q in case of the F, G, and K -- type stars. Significant differences, coming mainly from the molecular line lists, are found for the M -- type star. It is possible to optimise a small number of bins to reduce the deviation of the results coming from the opacity grouping with respect to the ODF for the F, G, and K -- type stars. In the case of the M -- type star, the inclusion of splitting in wavelength is needed in the grouping to get similar results, with a subsequent increase in computing time. In the limit of a large number of bins, the deviation for all the binning configurations tested saturates and the results do not converge to the ODF solution. Due to this saturation, the Q rate cannot be improved by increasing the number of bins to more than about 20 bins. The more effective strategy is to select the optimal location of fewer bins., Comment: 26 pages, 29 figures. Accepted for publication in section 15 (Numerical methods and codes) of Astronomy and Astrophysics

It is well known that cool star atmospheres depart from local thermodynamic equilibrium (LTE). Accurate abundance determination requires taking those effects into account, but the necessary non-LTE calculations are often lacking. Our goal is to provide detailed estimates of NLTE effects for FGK type stars for all spectral lines from the ultraviolet to the infrared that are potentially useful as abundance diagnostics. The first paper in this series focusses on the light elements Na, Mg and Al. The code PySME is used to compute curves-of-growth for 2158 MARCS model atmospheres in a wide parameter range. Nine abundance points are used to construct individual line curves-of-growth by calculating the equivalent widths of 35 Na lines, 134 Mg lines, and 34 Al lines. The lines are selected from the ultra-violet to the near infrared wavelength range. We demonstrate the power of the new grids with LTE and NLTE abundance analysis by means of equivalent width measurements of five benchmark stars; the Sun, Arcturus, HD84937, HD140283 and HD122563. For Na, the NLTE abundances are lower than in LTE and show markedly reduced line-to-line scatter in the metal-poor stars. For Mg, we confirm previous reports of a significant 0.25 dex LTE ionization imbalance in metal-poor stars that is only slightly improved in NLTE (0.18 dex). LTE abundances based on Mg II lines agree better with models of Galactic chemical evolution. For Al, NLTE calculations strongly reduce a 0.6 dex ionization imbalance seen in LTE for the metal-poor stars. The abundance corrections presented in this work are in good agreement with previous studies for the subset of lines that overlap, except for strongly saturated lines., Comment: 12 pages main text, 7 figures, 14 pages appendix. Accepted for publication in A&A

The Ca~II H \& K lines are among the few features available to infer the metallicity of extremely metal-poor stars from medium-resolution spectroscopy. Unfortunately, these lines can overlap with absorption produced in the intervening interstellar medium, introducing systematic errors in the derived metallicities. The strength of the Ca~II infrared triplet lines can also be measured at extremely low metallicities, and it is not affected by interstellar absorption, but suffers significant departures from Local Thermodynamical Equilibrium (LTE). We investigate the feasibility of adopting the Ca~II infrared triplet as a metallicity indicator in extremely metal-poor stars using state-of-the art Non-LTE models including the most recent atomic data. We find that the triplet lines exhibit Non-LTE abundance corrections that can exceed 0.5\,dex. When interstellar absorption affecting the Ca~II resonance lines is accounted for using high-resolution observations, the agreement between Non-LTE abundances for the triplet and those for the resonance lines, with only minor departures from LTE, is excellent. Non-LTE effects strengthen the Ca~II IR triplet lines, facilitating measurements at very low metallicities, compared with LTE estimates, down to $\rm [Fe/H]=-6.0$. This result has important implications for the discovery of primitive stars in our Galaxy and others, since instruments are most sensitive at red/near-infrared wavelengths, and tens of millions of spectra covering the Ca~II IR triplet will soon become available from the Gaia, DESI, WEAVE, and PFS missions., Comment: 11 pages, 3 figures

Hydrodynamical (or 3D) and non-local thermodynamic equilibrium (NLTE) effects are known to affect abundance analyses. However, there are very few observational abundance testsof 3D and NLTE models. We developed a new way of testing the abundance predictions of 3D and NLTE models, taking advantage of large spectroscopic survey data. We use a line-by-line analysis of the Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra (H band) with the Brussels Automatic Code for Characterizing High accUracy Spectra (BACCHUS). We compute line-by-line abundances of Mg, Si, Ca, and Fe for a large number of globular cluster K giants in the APOGEE survey. We compare this line-by-line analysis against NLTE and 3D predictions. While the 1D-NLTE models provide corrections in the right direction, there are quantitative discrepancies between different models. We observe a better agreement with the data for the models including reliable collisional cross-sections. The agreement between data and models is not always satisfactory when the 3D spectra are computed in LTE. However, we note that for a fair comparison, 3D corrections should be computed with self-consistently derived stellar parameters, and not on 1D models with identical stellar parameters. Finally, we focus on 3D and NLTE effects on Fe lines in the H band, where we observe a systematic difference in abundance relative to the value from the optical. Our results suggest that the metallicities obtained from the H band are more accurate in metal-poor giants. More atomic data and extended self-consistent 3D-NLTE computations need to be made. The method we have developed for testing 3D and NLTE models could be extended to other lines and elements, and is particularly suited for large spectroscopic surveys., Comment: 13 pages, 9 figures, accepted in A&A

Massive sets of stellar spectroscopic observations are rapidly becoming available and these can be used to determine the chemical composition and evolution of the Galaxy with unprecedented precision. One of the major challenges in this endeavour involves constructing realistic models of stellar spectra with which to reliably determine stellar abundances. At present, large stellar surveys commonly use simplified models that assume that the stellar atmospheres are approximately in local thermodynamic equilibrium (LTE). To test and ultimately relax this assumption, we have performed non-LTE calculations for $13$ different elements (H, Li, C, N, O, Na, Mg, Al, Si, K, Ca, Mn, and Ba), using recent model atoms that have physically-motivated descriptions for the inelastic collisions with neutral hydrogen, across a grid of $3756$ 1D MARCS model atmospheres that spans $3000\leq T_{\mathrm{eff}}/\mathrm{K}\leq8000$, $-0.5\leq\log{g/\mathrm{cm\,s^{-2}}}\leq5.5$, and $-5\leq\mathrm{[Fe/H]}\leq1$. We present the grids of departure coefficients that have been implemented into the GALAH DR3 analysis pipeline in order to complement the extant non-LTE grid for iron. We also present a detailed line-by-line re-analysis of $50126$ stars from GALAH DR3. We found that relaxing LTE can change the abundances by between $-0.7\,\mathrm{dex}$ and $+0.2\,\mathrm{dex}$ for different lines and stars. Taking departures from LTE into account can reduce the dispersion in the $\mathrm{[A/Fe]}$ versus $\mathrm{[Fe/H]}$ plane by up to $0.1\,\mathrm{dex}$, and it can remove spurious differences between the dwarfs and giants by up to $0.2\,\mathrm{dex}$. The resulting abundance slopes can thus be qualitatively different in non-LTE, possibly with important implications for the chemical evolution of our Galaxy., Comment: 19 pages, 25 figures, 2 tables, arXiv abstract abridged; accepted for publication in A&A

We previously explored the circumstellar effects on the Rb and Zr abundances in massive Galactic O-rich AGB stars. Here we are interested in the role of the extended atmosphere in the case of Li and Ca. Li is an important indicator of HBB while the total Ca in these stars could be affected by neutron captures. The Li abundances were previously studied with hydrostatic models, while the Ca abundances have been determined for the first time. We use a modified version of Turbospectrum and consider the presence of a gaseous circumstellar envelope and radial wind. The new Li abundances derived with the pseudo-dynamical models are very similar to those obtained from hydrostatic models (the average difference is 0.18 dex), with no difference for Ca. The Li and Ca content in these stars is only slightly affected by the presence of a circumstellar envelope. We also found that the Li I and Ca I line profiles are not very sensitive to variations of the model wind parameters. The new Li abundances confirm the Li-rich nature of the sample stars, supporting the activation of HBB in massive Galactic AGB stars. This is in good agreement with the theoretical predictions for solar metallicity AGB models from ATON, Monash, and NuGrid/MESA but is at odds with the FRUITY database, which predicts no HBB leading to the production of Li. Most sample stars display nearly solar Ca abundances that are consistent with the available s-process nucleosynthesis models for solar metallicity massive AGB stars, which predict overproduction of 46Ca relatively to the other Ca isotope and the creation of the radiactive isotope 41Ca but no change in the total Ca abundance. A minority of the stars seem to show a significant Ca depletion (by up to 1.0 dex). Possible explanations are offered to explain their apparent and unexpected Ca depletion., Comment: 14 pages, 8 figures, accepted in A&A

Context. Departures from local thermodynamic equilibrium (LTE) distort the calcium abundance derived from stellar spectra in various ways, depending on the lines used and the stellar atmospheric parameters. The collection of atomic data adopted in non-LTE (NLTE) calculations must be sufficiently complete and accurate. Aims. We derive NLTE abundances from high-quality observations and reliable stellar parameters using a model atom built afresh for this work, and check the consistency of our results over a wide wavelength range with transitions of atomic and singly ionised calcium. Methods. We built and tested Ca i and Ca ii model atoms with state-of-the-art radiative and collisional data, and tested their performance deriving the Ca abundance in three benchmark stars: Procyon, the Sun, and Arcturus. We have excellent-quality observations and accurate stellar parameters for these stars. Two methods to derive the LTE / NLTE abundances were used and compared. The LTE / NLTE centre-to-limb variation (CLV) of Ca lines in the Sun was also investigated. Results. The two methods used give similar results in all three stars. Several discrepancies found in LTE do not appear in our NLTE results; in particular the agreement between abundances in the visual and infra-red (IR) and the Ca i and Ca ii ionisation balance is improved overall, although substantial line-to-line scatter remains. The CLV of the calcium lines around 6165 Angs can be partially reproduced. We suspect differences between our modelling and CLV results are due to inhomogeneities in the atmosphere that require 3D modelling., Comment: 17 pages, 11 Figures

Results of calculations for inelastic e+Mg effective collision strengths for the lowest 25 physical states of Mg I (up to 3s6p 1P), and thus 300 transitions, from the convergent close-coupling (CCC) and the B-spline R-matrix (BSR) methods are presented. At temperatures of interest, ~5000 K, the results of the two calculations differ on average by only 4%, with a scatter of 27%. As the methods are independent, this suggests that the calculations provide datasets for e+Mg collisions accurate to this level. Comparison with the commonly used dataset compiled by Mauas et al. (1988), covering 25 transitions among 12 states, suggests the Mauas et al. data are on average ~57% too low, and with a very large scatter of a factor of ~6.5. In particular the collision strength for the transition corresponding to the Mg I intercombination line at 457 nm is significantly underestimated by Mauas et al., which has consequences for models that employ this dataset. In giant stars the new data leads to a stronger line compared to previous non-LTE calculations, and thus a reduction in the non-LTE abundance correction by ~0.1 dex (~25%). A non-LTE calculation in a supernova ejecta model shows this line becomes significantly stronger, by a factor of around two, alleviating the discrepancy where the 457 nm line in typical models with Mg/O ratios close to solar tended to be too weak compared to observations., Comment: Accepted for publication in Astronomy and Astrophysics

Mg is often traced in late-type stars using lines of neutral magnesium, which is expected to be subject to departures from LTE. The astrophysical importance of Mg as well as its relative simplicity from an atomic physics point of view, makes it a prime target and test bed for detailed ab initio non-LTE modelling in stellar atmospheres. For the low-lying states of Mg i, electron collision data were calculated using the R-matrix method. Calculations for collisional broadening by neutral hydrogen were also performed where data were missing. These calculations, together with data from the literature, were used to build a model atom. First, the modelling was tested by comparisons with observed spectra of benchmark stars with well-known parameters. Second, the spectral line behaviour and uncertainties were explored by extensive experiments in which sets of collisional data were changed or removed. The modelled spectra agree well with observed spectra. The line-to-line scatter in the derived abundances shows improvements compared to LTE. The observed Mg emission features at 7 and 12 microns in the spectra of the Sun and Arcturus are reasonably well reproduced. The modelling predicts non-LTE abundance corrections in dwarfs, both solar metallicity and metal-poor, to be very small (of order 0.01 dex), even smaller than found in previous studies. In giants, corrections vary greatly between lines, but can be as large as 0.4 dex. Our results emphasise the need for accurate data of Mg collisions with both electrons and H atoms for precise non-LTE predictions of stellar spectra, but demonstrate that such data can be calculated and that ab initio non-LTE modelling without resort to free parameters is possible. Grids of departure coefficients and abundance corrections for a range of stellar parameters are planned for a forthcoming paper., Comment: 23 pages, 11 figures

To date, the CoRoT space mission has produced more than 124,471 light curves. Classifying these curves in terms of unambiguous variability behavior is mandatory for obtaining an unbiased statistical view on their controlling root-causes. The present study provides an overview of semi-sinusoidal light curves observed by the CoRoT exo-field CCDs. We selected a sample of 4,206 light curves presenting well-defined semi-sinusoidal signatures. The variability periods were computed based on Lomb-Scargle periodograms, harmonic fits, and visual inspection. Color-period diagrams for the present sample show the trend of an increase of the variability periods as long as the stars evolve. This evolutionary behavior is also noticed when comparing the period distribution in the Galactic center and anti-center directions. These aspects indicate a compatibility with stellar rotation, although more information is needed to confirm their root-causes. Considering this possibility, we identified a subset of three Sun-like candidates by their photometric period. Finally, the variability period versus color diagram behavior was found to be highly dependent on the reddening correction., Comment: 12 pages, 16 figures, A&A accepted

The influence of the uncertainties in the rate coefficient data for electron-impact excitation and ionization on non-LTE Li line formation in cool stellar atmospheres is investigated. We examine the electron collision data used in previous non-LTE calculations and compare them to recent calculations that use convergent close-coupling (CCC) techniques and to our own calculations using the R-matrix with pseudostates (RMPS) method. We find excellent agreement between rate coefficients from the CCC and RMPS calculations, and reasonable agreement between these data and the semi-empirical data used in non-LTE calculations up to now. The results of non-LTE calculations using the old and new data sets are compared and only small differences found: about 0.01 dex (~ 2%) or less in the abundance corrections. We therefore conclude that the influence on non-LTE calculations of uncertainties in the electron collision data is negligible. Indeed, together with the collision data for the charge exchange process Li(3s) + H <-> Li^+ + H^- now available, and barring the existence of an unknown important collisional process, the collisional data in general is not a source of significant uncertainty in non-LTE Li line formation calculations., Comment: 8 pages, accepted by Astronomy and Astrophysics; Replaced with minor corrections following proofs