Work

Ground-state properties of simple elements from GW calculations

Year: 2009

Type: article

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.

Source: Physical Review B

DOI: 10.1103/physrevb.80.041103

Authors: Andrey Kutepov, Sergey Y. Savrasov, Gabriel Kotliar

Institutions: University of California, Davis, Rutgers, The State University of New Jersey

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2066440657

FWCI: 1.863

Cites: 33

Cited by: 72

Related to: 10