---
_id: '18557'
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.
article_type: original
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. <i>Zeitschrift für Physikalische
    Chemie</i>. 2010;224(3-4):357-368. doi:<a href="https://doi.org/10.1524/zpch.2010.6110">10.1524/zpch.2010.6110</a>
  apa: Schindlmayr, A., Friedrich, C., Şaşıoğlu, E., &#38; Blügel, S. (2010). First-principles
    calculation of electronic excitations in solids with SPEX. <i>Zeitschrift Für
    Physikalische Chemie</i>, <i>224</i>(3–4), 357–368. <a href="https://doi.org/10.1524/zpch.2010.6110">https://doi.org/10.1524/zpch.2010.6110</a>
  bibtex: '@article{Schindlmayr_Friedrich_Şaşıoğlu_Blügel_2010, title={First-principles
    calculation of electronic excitations in solids with SPEX}, volume={224}, DOI={<a
    href="https://doi.org/10.1524/zpch.2010.6110">10.1524/zpch.2010.6110</a>}, number={3–4},
    journal={Zeitschrift für Physikalische Chemie}, publisher={Oldenbourg}, author={Schindlmayr,
    Arno and Friedrich, Christoph and Şaşıoğlu, Ersoy and Blügel, Stefan}, year={2010},
    pages={357–368} }'
  chicago: 'Schindlmayr, Arno, Christoph Friedrich, Ersoy Şaşıoğlu, and Stefan Blügel.
    “First-Principles Calculation of Electronic Excitations in Solids with SPEX.”
    <i>Zeitschrift Für Physikalische Chemie</i> 224, no. 3–4 (2010): 357–68. <a href="https://doi.org/10.1524/zpch.2010.6110">https://doi.org/10.1524/zpch.2010.6110</a>.'
  ieee: 'A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, and S. Blügel, “First-principles
    calculation of electronic excitations in solids with SPEX,” <i>Zeitschrift für
    Physikalische Chemie</i>, vol. 224, no. 3–4, pp. 357–368, 2010, doi: <a href="https://doi.org/10.1524/zpch.2010.6110">10.1524/zpch.2010.6110</a>.'
  mla: Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations
    in Solids with SPEX.” <i>Zeitschrift Für Physikalische Chemie</i>, vol. 224, no.
    3–4, Oldenbourg, 2010, pp. 357–68, doi:<a href="https://doi.org/10.1524/zpch.2010.6110">10.1524/zpch.2010.6110</a>.
  short: A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, S. Blügel, Zeitschrift Für Physikalische
    Chemie 224 (2010) 357–368.
date_created: 2020-08-28T11:20:50Z
date_updated: 2025-12-16T11:09:01Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1524/zpch.2010.6110
external_id:
  arxiv:
  - '1110.1596'
  isi:
  - '000281124800006'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T14:34:10Z
  date_updated: 2020-08-30T15:04:39Z
  description: © 2010 Oldenbourg Wissenschaftsverlag, München
  file_id: '18581'
  file_name: zpch.2010.6110.pdf
  file_size: 912086
  relation: main_file
  title: First-principles calculation of electronic excitations in solids with SPEX
file_date_updated: 2020-08-30T15:04:39Z
has_accepted_license: '1'
intvolume: '       224'
isi: '1'
issue: 3-4
language:
- iso: eng
page: 357-368
publication: Zeitschrift für Physikalische Chemie
publication_identifier:
  eissn:
  - 2196-7156
  issn:
  - 0942-9352
publication_status: published
publisher: Oldenbourg
quality_controlled: '1'
status: public
title: First-principles calculation of electronic excitations in solids with SPEX
type: journal_article
user_id: '16199'
volume: 224
year: '2010'
...