Non-muffin-tin version of the multiple scattering method for crystals and molecules
- 15 July 1976
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 14 (2) , 354-360
- https://doi.org/10.1103/physrevb.14.354
Abstract
We present a variational version of the multiple scattering method for non-muffin-tin potentials. Compared with a perturbational procedure where the non-muffin-tin parts of the potential are treated in the first order, the present method is both faster and more precise. In a trial numerical calculation for iron, we exhibit the virtues and main difficulties of the method.Keywords
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