Abstract
A method is presented to calculate electronic band structures for a general one-electron potential. Both the wave functions and their gradients are continuous everywhere in the crystal. As a test, calculations for paramagnetic Ni, Cu, and Al by Hanus, Burdick, and Segall, respectively, were repeated, using their muffin-tin potentials.
- Received 5 September 1969
DOI:https://doi.org/10.1103/PhysRevB.2.3098
©1970 American Physical Society