Logo del repository
  1. Home
 
Opzioni

Many-body perturbation theory calculations using the yambo code

Sangalli D.
•
Ferretti A.
•
Miranda H.
altro
Marini A.
2019
  • journal article

Periodico
JOURNAL OF PHYSICS. CONDENSED MATTER
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 implementation of a real-time propagation scheme for simulating linear and non-linear optical properties. Improvements to numerical algorithms and the user interface are outlined. Particular emphasis is given to the new and efficient parallel structure that makes it possible to exploit modern high performance computing architectures. Finally, we demonstrate the possibility to automate workflows by interfacing with the yambopy and AiiDA software tools.
DOI
10.1088/1361-648X/ab15d0
WOS
WOS:000469804900001
Archivio
http://hdl.handle.net/11368/2987908
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85065838605
https://iopscience.iop.org/article/10.1088/1361-648X/ab15d0
Diritti
open access
license:creative commons
license uri:http://creativecommons.org/licenses/by/4.0/
FVG url
https://arts.units.it/bitstream/11368/2987908/1/Sangalli_2019_J._Phys.3A_Condens._Matter_31_325902.pdf
Soggetti
  • electron-phonon

  • electronic structure

  • Kerr effect

  • optical propertie

  • parallelism

  • real-time dynamic

  • spin and spinors

Web of Science© citazioni
285
Data di acquisizione
Mar 18, 2024
Visualizzazioni
2
Data di acquisizione
Apr 19, 2024
Vedi dettagli
google-scholar
Get Involved!
  • Source Code
  • Documentation
  • Slack Channel
Make it your own

DSpace-CRIS can be extensively configured to meet your needs. Decide which information need to be collected and available with fine-grained security. Start updating the theme to match your nstitution's web identity.

Need professional help?

The original creators of DSpace-CRIS at 4Science can take your project to the next level, get in touch!

Realizzato con Software DSpace-CRIS - Estensione mantenuta e ottimizzata da 4Science

  • Impostazioni dei cookie
  • Informativa sulla privacy
  • Accordo con l'utente finale
  • Invia il tuo Feedback