Non-muffin-tin band theories of the multiple-scattering type
- 15 July 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 32 (2) , 1339-1342
- https://doi.org/10.1103/physrevb.32.1339
Abstract
Numerical calculations on an empty-lattice model are used to illustrate the fact that the greatest improvement in the accuracy of the eigenvalues for a non-muffin-tin potential comes from the inclusion of the off-diagonal elements of the scattering matrices. The eigenvalues calculated with a recently proposed formulation are seen to be no better than those obtained with other schemes that ignore near-field corrections.Keywords
This publication has 22 references indexed in Scilit:
- On the calculation of the energy of a Bloch wave in a metalPublished by Elsevier ,2004
- Multiple-scattering approach to band theory. II. Fast band theoryPhysical Review B, 1982
- Multiple-scattering approach to band theoryPhysical Review B, 1979
- Cohesive properties of metallic compounds: Augmented-spherical-wave calculationsPhysical Review B, 1979
- Linear methods in band theoryPhysical Review B, 1975
- Coherent-Potential Model of Substitutional Disordered AlloysPhysical Review B, 1967
- Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic LithiumPhysical Review B, 1954
- Multiple Scattering of WavesReviews of Modern Physics, 1951
- Zur Begründung der KristalloptikAnnalen der Physik, 1916
- LVI. On the influence of obstacles arranged in rectangular order upon the properties of a mediumJournal of Computers in Education, 1892