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yambo: An ab initio tool for excited state calculations

Articolo
Data di Pubblicazione:
2009
Abstract:
yambo is an ab initio code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the GW approximation for the self-energy. Optical properties are evaluated either by solving the Bethe-Salpeter equation or by using the adiabatic local density approximation. yambo is a plane-wave code that, although particularly suited for calculations of periodic bulk systems, has been applied to a large variety of physical systems. yambo relies on efficient numerical techniques devised to treat systems with reduced dimensionality, or with a large number of degrees of freedom. The code has a user-friendly command-line based interface, flexible I/O procedures and is interfaced to several publicly available density functional ground-state codes.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Electronic structure; Optical properties; Excitons; Quasiparticles; simulation
Elenco autori:
Marini, Andrea; Varsano, Daniele; Hogan, CONOR DAVID
Autori di Ateneo:
HOGAN CONOR DAVID
MARINI ANDREA
VARSANO DANIELE
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/353
Pubblicato in:
COMPUTER PHYSICS COMMUNICATIONS
Journal
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