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A very simple procedure to extract pseudopotentials from ab initio atomic calculations is presented. The pseudopotentials yield exact eigenvalues and nodeless eigenfunctions which agree with atomic wave functions beyond a chosen radius r₂. Moreover, logarithmic derivatives of real and pseudo wave functions and their first energy derivatives agree for r>r₂ guaranteeing excellent transferability of the pseudopotentials.
Hamann et al. (1979) studied this question.
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