Simpler expression for evaluating the density matrix in the self-consistent Green's-function method
- 15 November 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (10) , 4363-4364
- https://doi.org/10.1103/physrevb.20.4363
Abstract
In a recent publication describing a self-consistent Green's function for use in studying defects in solids, one of the major steps was evaluating the density matrix which describes the valence charge density in a basis of localized orbitals. We have since discovered an algebraic identity which considerably simplifies that evaluation, and we here present the simplified form for .
Keywords
This publication has 1 reference indexed in Scilit:
- New self-consistent approach to the electronic structure of localized defects in solidsPhysical Review B, 1979