articleJournal of Physics Condensed MatterApr 3, 2019HYBRID OA

Many-body perturbation theory calculations using the yambo code

DSDavide SangalliAFAndrea FerrettiHMHenrique MirandaCAClaudio AttaccaliteIMIvan Marri

Institute of Structure of Matter · European Theoretical Spectroscopy Facility · +16 more institutions

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Abstract

Yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density functional theory codes such as Quantum ESPRESSO and Abinit. yambo's capabilities include the calculation of linear response quantities (both independent-particle and including electron-hole interactions), quasi-particle corrections based on the GW formalism, optical absorption, and other spectroscopic quantities. Here we describe recent developments ranging from the inclusion of important but oft-neglected physical effects such as electron-phonon interactions to the…

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Topics & keywords

Topics
Keywords
  • Interfacing
  • Computer science
  • Exploit
  • Workflow
  • Software
  • Perturbation theory (quantum mechanics)
  • Excited state
  • Computational science
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