The cancellation theorem in pseudopotential theory
- 14 March 1971
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 4 (4) , 427-434
- https://doi.org/10.1088/0022-3719/4/4/004
Abstract
The cancellation theorem of Cohen and Heine is derived in an exact form using a phase function approach. The new form of the theorem enables precise statements to be made about how far the zero to which we cancel the potential is arbitrary, and in certain circumstances to detect over cancellation. The latter phenomenon is ascribed to the influence of the core states and an expression derived for the maximum repulsive potential we can expect when we have over cancellation.Keywords
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