Calculation of electronic transition matrix elements based on local atomic environment
- 1 April 1977
- journal article
- Published by IOP Publishing in Journal of Physics A: General Physics
- Vol. 10 (4) , 461-470
- https://doi.org/10.1088/0305-4470/10/4/009
Abstract
In a wide variety of solids the electronic structure is well described in terms of local atomic environment by the recursion method. A theory of perturbations, directed towards the calculation of transition matrix elements, is developed in terms of the local environment using the recursion method as the unperturbed solution. As well as embodying this physical concept, the theory permits calculations on systems with many more degrees of freedom than other methods.Keywords
This publication has 2 references indexed in Scilit:
- Electronic structure based on the local atomic environment for tight-binding bands. IIJournal of Physics C: Solid State Physics, 1975
- The inverse of a linear operatorJournal of Physics A: Mathematical, Nuclear and General, 1974