Simple tests are presented that gauge the accuracy of some of the pseudopotentials currently used in the literature to calculate within the density–functional approach the electronic properties of molecules, solids and surfaces. These include the local ’’soft-core’’ and ’’hard-core’’ potentials as well as the nonlocal first principles (’’hard-core’’) potentials. A discussion of common misconceptions regarding pseudopotentials is included.
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Alex Zunger (1979) studied this question.