Application of the recursion method to pseudopotential band-structure calculations
- 1 April 1985
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 51 (4) , 397-404
- https://doi.org/10.1080/13642818508240587
Abstract
Different possibilities for using the recursion method for diagonalizing pseudo-potential Hamiltonians in a plane-wave basis are discussed. The numerical results given here show that the recursion method is very interesting within the context of pseudopotential band-structure calculations. It is particularly useful if self-consistency is required.Keywords
This publication has 3 references indexed in Scilit:
- Recursion Method with Plane Wave Basis for Band Structure CalculationsPhysica Status Solidi (b), 1984
- The Recursive Solution of the Schrodinger EquationPublished by Elsevier ,1980
- Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende StructuresPhysical Review B, 1966