New Version of the Modified Augmented-Plane-Wave Method
- 15 October 1970
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 2 (8) , 3098-3103
- https://doi.org/10.1103/physrevb.2.3098
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.Keywords
This publication has 9 references indexed in Scilit:
- Self-Consistent Augmented-Plane-Wave MethodPhysical Review B, 1969
- On a formalism to calculate single particle wave functions in crystals taking into account many-body aspectsThe European Physical Journal A, 1968
- Composite Wave Variational Method for Solution of the Energy-Band Problem in SolidsPhysical Review B, 1963
- Energy Band Structure of CopperPhysical Review B, 1963
- Energy Bands of AluminumPhysical Review B, 1961
- The Augmented Plane Wave and related methods for Crystal Eigenvalue ProblemsProceedings of the Physical Society. Section A, 1956
- Group Theory and Crystal LatticesReviews of Modern Physics, 1954
- An Augmented Plane Wave Method for the Periodic Potential ProblemPhysical Review B, 1953
- Wave Functions in a Periodic PotentialPhysical Review B, 1937