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The concept of a pseudopotential is related to replacing the effects of the core electrons with an effective potential. The pseudopotential generation procedure The pseudopotential method is based on the strategy that a modified nuclear potential is constructed, which obeys the conditions: 1. Outside the pseudisation An exact pseudopotential theory is presented for atoms and molecules with arbitrary number of valence and core electrons and arbitrary number of nuclei. Pseudo potential V (r,r ) has to be chosen such that the main properties of the atom are reproduced. Page 8. Pseudization of Valence Wavefunctions. Page 9Conserving Pseudopotential (NCPP): a soft potential for valence electrons only. (core electrons disappear from the calculation) having pseudo-wavefunctions. The Plane-Wave Pseudopotential Method. (i) how to get rid of the "core electrons": the pseudopotential concept. Starting Point: Electronic structure problem