The Pseudopotential Concept
Available online 30 May 2008.
Publisher Summary
This chapter reviews the basic ideas about pseudopotentials. These ideas have evolved and intersected with other developments, therefore, the concept is developed it both from the point of view of an equivalent operator potential and from scattering theory. It is suggested that a correct pseudopotential is defined as one that gave the same energy levels as the real potential, a t least for a range of states of interest, with the emphasis on transforming the Schroedinger equation from. In the chapter, the augmented plane wave, orthogonalized plane wave, Ziman, and Abarenkov forms are discussed. It is reported that with the perspective of time, it also seems appropriate to review why the whole concept of a pseudopotential is necessary, and the cancellation theorem is treated more satisfactorily than previously.
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http://sci-hub.tw/https://doi.org/10.1016/S0081-1947(08)60069-7
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