Multiple-scattering solution of Schrodinger's equation for potentials of general shape
- 10 June 1987
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 20 (16), 2347-2360
- https://doi.org/10.1088/0022-3719/20/16/010
Abstract
It is shown that electronic-structure calculations by multiple-scattering theory are not restricted to the case of muffin-tin potentials but can be extended to the general case. The exact nature of the multiple-scattering equations is shown and their convergence behaviour with respect to the angular momentum cut-off is discussed. The numerical solutions are as easy to obtain (as for muffin-tin potentials) apart from the single-site scattering problem which is computationally more difficult.Keywords
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