Atomic pseudopotentials
Published in Cambridge University Press eBooks • Jun 29, 2006
Authors:
Jorge Kohanoff
Abstract
The wave functions for free electrons in a periodic crystal can be expanded in plane waves (PWs). If the potential due to the atoms is neglected, then PWs are the exact solution. If the potential is reasonably smooth, then it can be treated as a perturbation, thus leading to the so-called nearly-fre...
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