yambo: An ab initio tool for excited state calculations


Autoria(s): Marini, Andrea; Hogan, Conor; Gruening, Myrta; Varsano, Daniele
Data(s)

01/08/2009

Resumo

<p>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 110 procedures and is interfaced to several publicly available density functional ground-state codes.</p>

Identificador

http://pure.qub.ac.uk/portal/en/publications/yambo-an-ab-initio-tool-for-excited-state-calculations(c36b89f4-6670-430b-8b04-3a6fab2ac31e).html

http://dx.doi.org/10.1016/j.cpc.2009.02.003

Idioma(s)

eng

Direitos

info:eu-repo/semantics/restrictedAccess

Fonte

Marini , A , Hogan , C , Gruening , M & Varsano , D 2009 , ' yambo: An ab initio tool for excited state calculations ' Computer Physics Communications , vol 180 , no. 8 , pp. 1392-1403 . DOI: 10.1016/j.cpc.2009.02.003

Tipo

article