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Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structure and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering.

p+Na collisions have been investigated theoretically and experimentally at impact energies in the keV regime. We present results for capture and ionization processes, and, in particular, analyse the role of initial inner-shell electrons, whose active participation is identified in the experiments through the analysis of recoil-ion momentum spectra. Quantum-mechanical calculations within the independent particle model have been carried out for all active electrons. A very good overall agreement between the theoretical and experimental results is found. The calculations support the observation that capture from inner shells is an important reaction channel even at relatively low impact energies, and dominates total capture above 40 keV.