Abstract
A self-consistent implementation of Hedin’s GW perturbation theory is introduced. This finite-temperature method uses Hartree-Fock wave functions obtained with full potential linear augmented plane-wave method to represent Green’s function. With our approach we are able to calculate total energy as a function of the lattice parameter. Ground-state properties calculated for Na, Al, and Si compare well with experimental data.
- Received 29 June 2009
DOI:https://doi.org/10.1103/PhysRevB.80.041103
©2009 American Physical Society