Abstract
In the framework of the pseudopotential theory, the three-dimensional momentum densities, ϱ( q) of Si and Ge are calculated using the cubic harmonics expansion method. In these expansions, we have included the sixteen relevant cubic harmonic functions (up to l = 22). The converging properties ϱ( q), Comptons profiles J z ( q z ), and B( r) functions are discussed in connection with the reconstruction procedure for the three dimensional momentum densities from the experimental J z 's of semiconductors. It is shown that (1) the qualitative features of the three-dimensional momentum densities are well reproduced by the first three terms in the cubic harmonics expansion, and (2) the first ten terms are enough to reproduce ϱ( q) and its anisotropic part to detailed features.
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