{"user_id":"458","citation":{"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). München: Oldenbourg. <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.","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. München: Oldenbourg; 2010:67-78. doi:<a href=\"https://doi.org/10.1524/9783486711639.67\">10.1524/9783486711639.67</a>","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.","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>.","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 MichaelEditor}, year={2010}, pages={67–78}, collection={Progress in Physical Chemistry} }"},"title":"First-principles calculation of electronic excitations in solids with SPEX","_id":"18549","department":[{"_id":"296"}],"publication_identifier":{"eisbn":["978-3-486-71163-9"],"isbn":["978-3-486-59827-8"]},"volume":3,"publisher":"Oldenbourg","author":[{"first_name":"Arno","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","id":"458"},{"full_name":"Friedrich, Christoph","last_name":"Friedrich","first_name":"Christoph"},{"last_name":"Şaşıoğlu","full_name":"Şaşıoğlu, Ersoy","first_name":"Ersoy"},{"first_name":"Stefan","last_name":"Blügel","full_name":"Blügel, Stefan"}],"status":"public","intvolume":"         3","year":"2010","place":"München","date_updated":"2022-01-06T06:53:37Z","type":"book_chapter","publication":"Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics","series_title":"Progress in Physical Chemistry","language":[{"iso":"eng"}],"date_created":"2020-08-28T11:03:04Z","editor":[{"first_name":"Franz Michael","last_name":"Dolg","full_name":"Dolg, Franz Michael"}],"quality_controlled":"1","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."}],"page":"67-78","doi":"10.1524/9783486711639.67","publication_status":"published"}