--- _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. Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics. Vol 3. Progress in Physical Chemistry. München: Oldenbourg; 2010:67-78. doi:10.1524/9783486711639.67' apa: 'Schindlmayr, A., Friedrich, C., Şaşıoğlu, E., & Blügel, S. (2010). First-principles calculation of electronic excitations in solids with SPEX. In F. M. Dolg (Ed.), Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics (Vol. 3, pp. 67–78). München: Oldenbourg. https://doi.org/10.1524/9783486711639.67' 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={10.1524/9783486711639.67}, 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 MichaelEditor}, 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 Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, edited by Franz Michael Dolg, 3:67–78. Progress in Physical Chemistry. München: Oldenbourg, 2010. https://doi.org/10.1524/9783486711639.67.' ieee: 'A. Schindlmayr, C. Friedrich, E. Şaşıoğlu, and S. Blügel, “First-principles calculation of electronic excitations in solids with SPEX,” in Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, 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.” Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, edited by Franz Michael Dolg, vol. 3, Oldenbourg, 2010, pp. 67–78, doi:10.1524/9783486711639.67. 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: 2022-01-06T06:53:37Z department: - _id: '296' 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: '458' volume: 3 year: '2010' ...