The contribution of bound electrons to stopping: A wavefunction-derived approach with angular momentum, spin degeneracy and binding energy effects

A wavefunction-derived theory of stopping of bound electrons was proposed by Kaneko (1989a, 1989b, 1993) and extended by Archubi and Arista (2017a, 2017b). Here, it is shown how the main expressions of this theory can be formulated, including the effect of degeneracy due to spin, the influence of the orbitals angular momentum and binding energy. A comparison of the assumed momentum densities with measured ones is given. Subsequently, a local-density-based approach is introduced, which provides a realistic description of the dielectric function in both the optical and high-momentum-transfer limits. • A new way of formulating the wave packet model is presented. • The model is extended for non-zero angular momentum states. • The model is extended for larger Gaussian basis sets. • The effects of introducing minimum excitation energies is discussed. • A wave packet model consistent with the measured optical loss function is given.