---
_id: '18549'
abstract:
- lang: eng
  text: We describe the software package SPEX, which allows first-principles calculations
    of quasiparticle and collective electronic excitations in solids using techniques
    from many-body perturbation theory. The implementation is based on the full-potential
    linearized augmented-plane-wave (FLAPW) method, which treats core and valence
    electrons on an equal footing and can be applied to a wide range of materials,
    including transition metals and rare earths. After a discussion of essential features
    that contribute to the high numerical efficiency of the code, we present illustrative
    results for quasiparticle band structures calculated within the GW approximation
    for the electronic self-energy, electron-energy-loss spectra with inter- and intraband
    transitions as well as local-field effects, and spin-wave spectra of itinerant
    ferromagnets. In all cases the inclusion of many-body correlation terms leads
    to very good quantitative agreement with experimental spectroscopies.
author:
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
- first_name: Christoph
  full_name: Friedrich, Christoph
  last_name: Friedrich
- first_name: Ersoy
  full_name: Şaşıoğlu, Ersoy
  last_name: Şaşıoğlu
- first_name: Stefan
  full_name: Blügel, Stefan
  last_name: Blügel
citation:
  ama: 'Schindlmayr A, Friedrich C, Şaşıoğlu E, Blügel S. First-principles calculation
    of electronic excitations in solids with SPEX. In: Dolg FM, ed. <i>Modern and
    Universal First-Principles Methods for Many-Electron Systems in Chemistry and
    Physics</i>. Vol 3. Progress in Physical Chemistry. Oldenbourg; 2010:67-78. doi:<a
    href="https://doi.org/10.1524/9783486711639.67">10.1524/9783486711639.67</a>'
  apa: Schindlmayr, A., Friedrich, C., Şaşıoğlu, E., &#38; Blügel, S. (2010). First-principles
    calculation of electronic excitations in solids with SPEX. In F. M. Dolg (Ed.),
    <i>Modern and Universal First-Principles Methods for Many-Electron Systems in
    Chemistry and Physics</i> (Vol. 3, pp. 67–78). Oldenbourg. <a href="https://doi.org/10.1524/9783486711639.67">https://doi.org/10.1524/9783486711639.67</a>
  bibtex: '@inbook{Schindlmayr_Friedrich_Şaşıoğlu_Blügel_2010, place={München}, series={Progress
    in Physical Chemistry}, title={First-principles calculation of electronic excitations
    in solids with SPEX}, volume={3}, DOI={<a href="https://doi.org/10.1524/9783486711639.67">10.1524/9783486711639.67</a>},
    booktitle={Modern and Universal First-Principles Methods for Many-Electron Systems
    in Chemistry and Physics}, publisher={Oldenbourg}, author={Schindlmayr, Arno and
    Friedrich, Christoph and Şaşıoğlu, Ersoy and Blügel, Stefan}, editor={Dolg, Franz
    Michael}, year={2010}, pages={67–78}, collection={Progress in Physical Chemistry}
    }'
  chicago: 'Schindlmayr, Arno, Christoph Friedrich, Ersoy Şaşıoğlu, and Stefan Blügel.
    “First-Principles Calculation of Electronic Excitations in Solids with SPEX.”
    In <i>Modern and Universal First-Principles Methods for Many-Electron Systems
    in Chemistry and Physics</i>, edited by Franz Michael Dolg, 3:67–78. Progress
    in Physical Chemistry. München: Oldenbourg, 2010. <a href="https://doi.org/10.1524/9783486711639.67">https://doi.org/10.1524/9783486711639.67</a>.'
  ieee: 'A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, and S. Blügel, “First-principles
    calculation of electronic excitations in solids with SPEX,” in <i>Modern and Universal
    First-Principles Methods for Many-Electron Systems in Chemistry and Physics</i>,
    vol. 3, F. M. Dolg, Ed. München: Oldenbourg, 2010, pp. 67–78.'
  mla: Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations
    in Solids with SPEX.” <i>Modern and Universal First-Principles Methods for Many-Electron
    Systems in Chemistry and Physics</i>, edited by Franz Michael Dolg, vol. 3, Oldenbourg,
    2010, pp. 67–78, doi:<a href="https://doi.org/10.1524/9783486711639.67">10.1524/9783486711639.67</a>.
  short: 'A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, S. Blügel, in: F.M. Dolg (Ed.),
    Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry
    and Physics, Oldenbourg, München, 2010, pp. 67–78.'
date_created: 2020-08-28T11:03:04Z
date_updated: 2025-12-16T08:09:01Z
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1524/9783486711639.67
editor:
- first_name: Franz Michael
  full_name: Dolg, Franz Michael
  last_name: Dolg
intvolume: '         3'
language:
- iso: eng
page: 67-78
place: München
publication: Modern and Universal First-Principles Methods for Many-Electron Systems
  in Chemistry and Physics
publication_identifier:
  eisbn:
  - 978-3-486-71163-9
  isbn:
  - 978-3-486-59827-8
publication_status: published
publisher: Oldenbourg
quality_controlled: '1'
series_title: Progress in Physical Chemistry
status: public
title: First-principles calculation of electronic excitations in solids with SPEX
type: book_chapter
user_id: '16199'
volume: 3
year: '2010'
...