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Momentum distribution and Compton profile by the ab initio GW approximation

Articolo
Data di Pubblicazione:
2012
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.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Condensed matter
Elenco autori:
Ladisa, Massimo
Autori di Ateneo:
LADISA MASSIMO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/226069
Pubblicato in:
PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS
Journal
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