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The lack of reliable atomic data can be a severe limitation in astrophysical modelling, in particular of events such as kilonovae that require information on all neutron-capture elements across a wide range of ionization stages. Notably, the presence of non-orthonormalities between electron orbitals representing configurations that are close in energy can introduce significant inaccuracies in computed energies and transition probabilities. Here, we propose an explicit targeted optimization (TO) method that can effectively circumvent this concern while retaining an orthonormal orbital basis set. We illustrate this method within the framework of small-scale atomic structure models of Au I, using the Grasp2018 multiconfigurational Dirac-Hartree-Fock atomic structure code. By comparing to conventional optimization schemes we show how a TO approach improves the energy level positioning and ordering. TO also leads to better agreement with experimental data for the strongest E1 transitions. This illustrates how small-scale models can be significantly improved with minor computational costs if orbital non-orthonormalities are considered carefully. These results should prove useful to multi-element atomic structure calculations in, for example, astrophysical opacity applications involving neutron-capture elements.

The Galactic evolution of copper remains poorly understood, partly due to the strong departures from local thermodynamic equilibrium (LTE) affecting Cu I lines. A key source of uncertainty in non-LTE modelling is the treatment of inelastic Cu + H collisions. We present new rate coefficients based on a combined asymptotic LCAO (linear combination of atomic orbitals) and free electron model approach, which show significant differences from previous calculations. Applying these updated rates to non-LTE stellar modelling, we find reduced line-to-line scatter and improved consistency between metal-poor dwarfs and giants. Our non-LTE analysis reveals a strong upturn in the [Cu/Fe] trend towards lower [Fe/H] < -1.7. We show that this may reflect the interplay between external enrichment of Cu-rich material of the Milky Way halo at low metallicities, and metallicity-dependent Cu yields from rapidly rotating massive stars. This highlights the unique diagnostic potential of accurate Cu abundances for understanding both stellar and Galactic evolution.

Silver is an important light neutron-capture element whose stellar abundances can help constrain the origin of the weak r-process. The Sun is an important reference point for such studies; moreover, being a moderately volatile element in CI chondrites, the solar silver abundance is interesting as a diagnostic for the debated Sun-CI abundance versus condensation temperature trend. These studies require accurate silver abundances that go beyond the commonly used assumptions of one-dimensional (1D) atmospheres and local thermodynamic equilibrium (LTE); however, no consistent 3D non-LTE analysis of silver has been available to date. We present a new Ag I model atom built from carefully curated radiative and collisional data, including newly computed oscillator strengths using an ab initio multi-configurational Hartree-Fock method and inelastic hydrogen collision rates based on a combined asymptotic and free-electron-model approach. We assessed modelling uncertainties via targeted sensitivity tests, finding the results to be most sensitive to the hydrogen-collision data. Applying the model to the solar Ag I 328 and 338 nm resonance lines, we find severe positive-abundance corrections from coupled 3D and non-LTE effects. Using revised equivalent-width measurements, we derive a recommended solar 3D non-LTE silver abundance of log ε_Ag = 1.15 ± 0.08. This is an increase of 0.19dex relative to the current reference value. Our ab initio model significantly reduces the discrepancy with the meteoritic value from 0.25 to 0.06 dex; moreover, this residual offset is consistent with what was recently reported for other moderately volatile elements. The Sun provides the benchmark test for the first silver non-LTE model atom presented here. In subsequent work, this model will be applied to determine 3D non-LTE silver abundances in metal-poor dwarfs and giants, enabling improved constraints on Galactic chemical evolution and weak r-process nucleosynthesis.