Momentum distribution and Compton profile by the ab initio GW approximation

Abstract
We present two possible approaches to calculate the momentum distribution n(p) and the Compton profile within the framework of the ab initio GW approximation on the self-energy. The approaches are based on integration of the Green's function along either the real or the imaginary axes. Examples will be presented on the jellium model and on real bulk sodium. Advantages and drawbacks of both methods are discussed in comparison with accurate quantum Monte Carlo calculations and x-ray Compton scattering experiments. We illustrate the effect of many-body correlations and disentangle them from band-structure and anisotropy effects by a comparison with density functional theory in the local density approximation. Our results suggest the use of G0W0 momentum distributions as reference for future experiments and theory developments.
Anno
2012
Autori IAC
Tipo pubblicazione
Altri Autori
Valerio Olevano; Andrey Titov; Massimo Ladisa; Keijo Hmlinen; Simo Huotari; and Markus Holzmann
Editore
Published by the American Physical Society through the American Institute of Physics,
Rivista
Physical review. B, Condensed matter and materials physics