Title of article :
yambo: An ab initio tool for excited state calculations Original Research Article
Author/Authors :
Andrea Marini and Michele Cini، نويسنده , , Conor Hogan، نويسنده , , Myrta Grüning، نويسنده , , Daniele Varsano، نويسنده ,
Issue Information :
ماهنامه با شماره پیاپی سال 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.
Keywords :
Quasiparticles , Electronic structure , Optical properties , Excitons
Journal title :
Computer Physics Communications
Journal title :
Computer Physics Communications