[{"file_date_updated":"2018-08-21T07:41:47Z","citation":{"mla":"Grynko, Yevgen, et al. “Optimal Second-Harmonic Generation in Split-Ring Resonator Arrays.” <i>Ultrafast Phenomena and Nanophotonics XVII</i>, edited by Markus Betz et al., vol. 8623, SPIE, 2013, pp. 86230L-86230L – 9, doi:<a href=\"https://doi.org/10.1117/12.2003279\">10.1117/12.2003279</a>.","ama":"Grynko Y, Meier T, Linden S, Niesler FBP, Wegener M, Förstner J. Optimal second-harmonic generation in split-ring resonator arrays. In: Betz M, Elezzabi AY, Song J-J, Tsen K-T, eds. <i>Ultrafast Phenomena and Nanophotonics XVII</i>. Vol 8623. SPIE Proceedings. SPIE; 2013:86230L-86230L - 9. doi:<a href=\"https://doi.org/10.1117/12.2003279\">10.1117/12.2003279</a>","bibtex":"@inproceedings{Grynko_Meier_Linden_Niesler_Wegener_Förstner_2013, series={SPIE Proceedings}, title={Optimal second-harmonic generation in split-ring resonator arrays}, volume={8623}, DOI={<a href=\"https://doi.org/10.1117/12.2003279\">10.1117/12.2003279</a>}, booktitle={Ultrafast Phenomena and Nanophotonics XVII}, publisher={SPIE}, author={Grynko, Yevgen and Meier, Torsten and Linden, Stefan and Niesler, Fabian B. P. and Wegener, Martin and Förstner, Jens}, editor={Betz, Markus and Elezzabi, Abdulhakem Y. and Song, Jin-Joo and Tsen, Kong-Thon}, year={2013}, pages={86230L-86230L–9}, collection={SPIE Proceedings} }","apa":"Grynko, Y., Meier, T., Linden, S., Niesler, F. B. P., Wegener, M., &#38; Förstner, J. (2013). Optimal second-harmonic generation in split-ring resonator arrays. In M. Betz, A. Y. Elezzabi, J.-J. Song, &#38; K.-T. Tsen (Eds.), <i>Ultrafast Phenomena and Nanophotonics XVII</i> (Vol. 8623, pp. 86230L-86230L – 9). SPIE. <a href=\"https://doi.org/10.1117/12.2003279\">https://doi.org/10.1117/12.2003279</a>","ieee":"Y. Grynko, T. Meier, S. Linden, F. B. P. Niesler, M. Wegener, and J. Förstner, “Optimal second-harmonic generation in split-ring resonator arrays,” in <i>Ultrafast Phenomena and Nanophotonics XVII</i>, 2013, vol. 8623, pp. 86230L-86230L–9, doi: <a href=\"https://doi.org/10.1117/12.2003279\">10.1117/12.2003279</a>.","short":"Y. Grynko, T. Meier, S. Linden, F.B.P. Niesler, M. Wegener, J. Förstner, in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T. Tsen (Eds.), Ultrafast Phenomena and Nanophotonics XVII, SPIE, 2013, pp. 86230L-86230L–9.","chicago":"Grynko, Yevgen, Torsten Meier, Stefan Linden, Fabian B. P. Niesler, Martin Wegener, and Jens Förstner. “Optimal Second-Harmonic Generation in Split-Ring Resonator Arrays.” In <i>Ultrafast Phenomena and Nanophotonics XVII</i>, edited by Markus Betz, Abdulhakem Y. Elezzabi, Jin-Joo Song, and Kong-Thon Tsen, 8623:86230L-86230L – 9. SPIE Proceedings. SPIE, 2013. <a href=\"https://doi.org/10.1117/12.2003279\">https://doi.org/10.1117/12.2003279</a>."},"has_accepted_license":"1","status":"public","user_id":"49063","ddc":["530"],"volume":8623,"editor":[{"full_name":"Betz, Markus","first_name":"Markus","last_name":"Betz"},{"full_name":"Elezzabi, Abdulhakem Y.","first_name":"Abdulhakem Y.","last_name":"Elezzabi"},{"full_name":"Song, Jin-Joo","first_name":"Jin-Joo","last_name":"Song"},{"last_name":"Tsen","first_name":"Kong-Thon","full_name":"Tsen, Kong-Thon"}],"page":"86230L-86230L-9","_id":"3961","publisher":"SPIE","abstract":[{"text":"Previous experimental measurements and numerical simulations give evidence of strong electric and magnetic field interaction between split-ring resonators in dense arrays. One can expect that such interactions have an influence on the second harmonic generation. We apply the Discontinuous Galerkin Time Domain method and the hydrodynamic Maxwell-Vlasov model to simulate the linear and nonlinear optical response from SRR arrays. The simulations show that dense placement of the constituent building blocks appears not always optimal and collective effects can lead to a significant suppression of the near fields at the fundamental frequency and, consequently, to the decrease of the SHG intensity. We demonstrate also the great role of the symmetry degree of the array layout which results in the variation of the SHG efficiency in range of two orders of magnitude.","lang":"eng"}],"publication":"Ultrafast Phenomena and Nanophotonics XVII","keyword":["tet_topic_shg","tet_topic_meta"],"type":"conference","department":[{"_id":"15"},{"_id":"293"},{"_id":"170"},{"_id":"61"},{"_id":"230"}],"file":[{"date_created":"2018-08-21T07:41:47Z","creator":"hclaudia","content_type":"application/pdf","success":1,"file_id":"3962","date_updated":"2018-08-21T07:41:47Z","relation":"main_file","file_size":1360450,"access_level":"closed","file_name":"2013-01 Grynko,Meier,Linden,Niesler,Wegener,Förstner_Optimal Second-Harmonic Generation in Split-Ring Resonator Arrays.pdf"}],"date_created":"2018-08-21T07:38:08Z","publication_status":"published","date_updated":"2023-04-16T22:25:51Z","intvolume":"      8623","year":"2013","title":"Optimal second-harmonic generation in split-ring resonator arrays","author":[{"id":"26059","last_name":"Grynko","first_name":"Yevgen","full_name":"Grynko, Yevgen"},{"id":"344","last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten"},{"first_name":"Stefan","last_name":"Linden","full_name":"Linden, Stefan"},{"last_name":"Niesler","first_name":"Fabian B. P.","full_name":"Niesler, Fabian B. P."},{"full_name":"Wegener, Martin","first_name":"Martin","last_name":"Wegener"},{"id":"158","first_name":"Jens","last_name":"Förstner","orcid":"0000-0001-7059-9862","full_name":"Förstner, Jens"}],"doi":"10.1117/12.2003279","series_title":"SPIE Proceedings","language":[{"iso":"eng"}]},{"publication_status":"published","date_updated":"2025-12-05T10:30:36Z","intvolume":"        88","status":"public","year":"2013","title":"Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces","author":[{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"},{"last_name":"Rode","first_name":"S.","full_name":"Rode, S."},{"full_name":"Hölscher, R.","last_name":"Hölscher","first_name":"R."},{"first_name":"S.","last_name":"Klassen","full_name":"Klassen, S."},{"full_name":"Marutschke, C.","last_name":"Marutschke","first_name":"C."},{"full_name":"Kobayashi, K.","first_name":"K.","last_name":"Kobayashi"},{"full_name":"Yamada, H.","first_name":"H.","last_name":"Yamada"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"full_name":"Kühnle, A.","first_name":"A.","last_name":"Kühnle"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"user_id":"16199","doi":"10.1103/physrevb.88.115422","volume":88,"language":[{"iso":"eng"}],"_id":"13521","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Physical Review B","citation":{"chicago":"Sanna, S., S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.” <i>Physical Review B</i> 88 (2013). <a href=\"https://doi.org/10.1103/physrevb.88.115422\">https://doi.org/10.1103/physrevb.88.115422</a>.","short":"S. Sanna, S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 88 (2013).","apa":"Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi, K., Yamada, H., Schmidt, W. G., &#38; Kühnle, A. (2013). Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. <i>Physical Review B</i>, <i>88</i>. <a href=\"https://doi.org/10.1103/physrevb.88.115422\">https://doi.org/10.1103/physrevb.88.115422</a>","ieee":"S. Sanna <i>et al.</i>, “Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces,” <i>Physical Review B</i>, vol. 88, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>.","ama":"Sanna S, Rode S, Hölscher R, et al. Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. <i>Physical Review B</i>. 2013;88. doi:<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>","bibtex":"@article{Sanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013, title={Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces}, volume={88}, DOI={<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>}, journal={Physical Review B}, author={Sanna, S. and Rode, S. and Hölscher, R. and Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2013} }","mla":"Sanna, S., et al. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.” <i>Physical Review B</i>, vol. 88, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>."},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T13:54:23Z"},{"_id":"13523","language":[{"iso":"eng"}],"page":"3471-3477","volume":23,"doi":"10.1002/adfm.201202808","user_id":"16199","author":[{"first_name":"Roberto C.","last_name":"Longo","full_name":"Longo, Roberto C."},{"first_name":"Kyeongjae","last_name":"Cho","full_name":"Cho, Kyeongjae"},{"full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","id":"468"},{"last_name":"Chabal","first_name":"Yves J.","full_name":"Chabal, Yves J."},{"last_name":"Thissen","first_name":"Peter","full_name":"Thissen, Peter"}],"publication_identifier":{"issn":["1616-301X"]},"status":"public","title":"Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations","year":"2013","intvolume":"        23","date_updated":"2025-12-05T10:29:35Z","publication_status":"published","date_created":"2019-09-30T14:07:28Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","citation":{"short":"R.C. Longo, K. Cho, W.G. Schmidt, Y.J. Chabal, P. Thissen, Advanced Functional Materials 23 (2013) 3471–3477.","chicago":"Longo, Roberto C., Kyeongjae Cho, Wolf Gero Schmidt, Yves J. Chabal, and Peter Thissen. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.” <i>Advanced Functional Materials</i> 23 (2013): 3471–77. <a href=\"https://doi.org/10.1002/adfm.201202808\">https://doi.org/10.1002/adfm.201202808</a>.","ieee":"R. C. Longo, K. Cho, W. G. Schmidt, Y. J. Chabal, and P. Thissen, “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations,” <i>Advanced Functional Materials</i>, vol. 23, pp. 3471–3477, 2013, doi: <a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>.","apa":"Longo, R. C., Cho, K., Schmidt, W. G., Chabal, Y. J., &#38; Thissen, P. (2013). Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations. <i>Advanced Functional Materials</i>, <i>23</i>, 3471–3477. <a href=\"https://doi.org/10.1002/adfm.201202808\">https://doi.org/10.1002/adfm.201202808</a>","bibtex":"@article{Longo_Cho_Schmidt_Chabal_Thissen_2013, title={Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations}, volume={23}, DOI={<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>}, journal={Advanced Functional Materials}, author={Longo, Roberto C. and Cho, Kyeongjae and Schmidt, Wolf Gero and Chabal, Yves J. and Thissen, Peter}, year={2013}, pages={3471–3477} }","ama":"Longo RC, Cho K, Schmidt WG, Chabal YJ, Thissen P. Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations. <i>Advanced Functional Materials</i>. 2013;23:3471-3477. doi:<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>","mla":"Longo, Roberto C., et al. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.” <i>Advanced Functional Materials</i>, vol. 23, 2013, pp. 3471–77, doi:<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>."},"publication":"Advanced Functional Materials"},{"title":"Friggeet al.Reply:","year":"2013","status":"public","author":[{"first_name":"T.","last_name":"Frigge","full_name":"Frigge, T."},{"full_name":"Wall, S.","last_name":"Wall","first_name":"S."},{"last_name":"Krenzer","first_name":"B.","full_name":"Krenzer, B."},{"full_name":"Wippermann, St.","first_name":"St.","last_name":"Wippermann"},{"first_name":"S.","last_name":"Sanna","full_name":"Sanna, S."},{"full_name":"Klasing, F.","last_name":"Klasing","first_name":"F."},{"last_name":"Hanisch-Blicharski","first_name":"A.","full_name":"Hanisch-Blicharski, A."},{"first_name":"M.","last_name":"Kammler","full_name":"Kammler, M."},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"first_name":"M.","last_name":"Horn-von Hoegen","full_name":"Horn-von Hoegen, M."}],"publication_identifier":{"issn":["0031-9007","1079-7114"]},"publication_status":"published","date_updated":"2025-12-05T10:28:23Z","intvolume":"       111","page":"149602","_id":"13518","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.1103/physrevlett.111.149602","volume":111,"publication":"Physical Review Letters","citation":{"mla":"Frigge, T., et al. “Friggeet al.Reply:” <i>Physical Review Letters</i>, vol. 111, 2013, p. 149602, doi:<a href=\"https://doi.org/10.1103/physrevlett.111.149602\">10.1103/physrevlett.111.149602</a>.","bibtex":"@article{Frigge_Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2013, title={Friggeet al.Reply:}, volume={111}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.111.149602\">10.1103/physrevlett.111.149602</a>}, journal={Physical Review Letters}, author={Frigge, T. and Wall, S. and Krenzer, B. and Wippermann, St. and Sanna, S. and Klasing, F. and Hanisch-Blicharski, A. and Kammler, M. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}, year={2013}, pages={149602} }","ama":"Frigge T, Wall S, Krenzer B, et al. Friggeet al.Reply: <i>Physical Review Letters</i>. 2013;111:149602. doi:<a href=\"https://doi.org/10.1103/physrevlett.111.149602\">10.1103/physrevlett.111.149602</a>","ieee":"T. Frigge <i>et al.</i>, “Friggeet al.Reply:,” <i>Physical Review Letters</i>, vol. 111, p. 149602, 2013, doi: <a href=\"https://doi.org/10.1103/physrevlett.111.149602\">10.1103/physrevlett.111.149602</a>.","apa":"Frigge, T., Wall, S., Krenzer, B., Wippermann, St., Sanna, S., Klasing, F., Hanisch-Blicharski, A., Kammler, M., Schmidt, W. G., &#38; Horn-von Hoegen, M. (2013). Friggeet al.Reply: <i>Physical Review Letters</i>, <i>111</i>, 149602. <a href=\"https://doi.org/10.1103/physrevlett.111.149602\">https://doi.org/10.1103/physrevlett.111.149602</a>","short":"T. Frigge, S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 111 (2013) 149602.","chicago":"Frigge, T., S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, Wolf Gero Schmidt, and M. Horn-von Hoegen. “Friggeet al.Reply:” <i>Physical Review Letters</i> 111 (2013): 149602. <a href=\"https://doi.org/10.1103/physrevlett.111.149602\">https://doi.org/10.1103/physrevlett.111.149602</a>."},"date_created":"2019-09-30T13:46:55Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}]},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ama":"Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>. 2013;447:78-85. doi:<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>","bibtex":"@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>}, journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2013}, pages={78–85} }","mla":"Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i>, vol. 447, 2013, pp. 78–85, doi:<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>.","short":"A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.","chicago":"Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i> 447 (2013): 78–85. <a href=\"https://doi.org/10.1080/00150193.2013.821904\">https://doi.org/10.1080/00150193.2013.821904</a>.","apa":"Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>, <i>447</i>, 78–85. <a href=\"https://doi.org/10.1080/00150193.2013.821904\">https://doi.org/10.1080/00150193.2013.821904</a>","ieee":"A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” <i>Ferroelectrics</i>, vol. 447, pp. 78–85, 2013, doi: <a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>."},"publication":"Ferroelectrics","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T13:49:40Z","intvolume":"       447","date_updated":"2025-12-05T10:30:58Z","publication_status":"published","publication_identifier":{"issn":["0015-0193","1563-5112"]},"author":[{"full_name":"Riefer, A.","last_name":"Riefer","first_name":"A."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"status":"public","title":"LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations","year":"2013","volume":447,"doi":"10.1080/00150193.2013.821904","user_id":"16199","language":[{"iso":"eng"}],"_id":"13519","page":"78-85"},{"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T14:18:37Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"13","publication":"Physical Review Letters","citation":{"short":"B.M. George, J. Behrends, A. Schnegg, T.F. Schulze, M. Fehr, L. Korte, B. Rech, K. Lips, M. Rohrmüller, E. Rauls, W.G. Schmidt, U. Gerstmann, Physical Review Letters 110 (2013).","chicago":"George, B. M., J. Behrends, A. Schnegg, T. F. Schulze, M. Fehr, L. Korte, B. Rech, et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.” <i>Physical Review Letters</i> 110, no. 13 (2013). <a href=\"https://doi.org/10.1103/physrevlett.110.136803\">https://doi.org/10.1103/physrevlett.110.136803</a>.","ieee":"B. M. George <i>et al.</i>, “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells,” <i>Physical Review Letters</i>, vol. 110, no. 13, 2013, doi: <a href=\"https://doi.org/10.1103/physrevlett.110.136803\">10.1103/physrevlett.110.136803</a>.","apa":"George, B. M., Behrends, J., Schnegg, A., Schulze, T. F., Fehr, M., Korte, L., Rech, B., Lips, K., Rohrmüller, M., Rauls, E., Schmidt, W. G., &#38; Gerstmann, U. (2013). Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. <i>Physical Review Letters</i>, <i>110</i>(13). <a href=\"https://doi.org/10.1103/physrevlett.110.136803\">https://doi.org/10.1103/physrevlett.110.136803</a>","bibtex":"@article{George_Behrends_Schnegg_Schulze_Fehr_Korte_Rech_Lips_Rohrmüller_Rauls_et al._2013, title={Atomic Structure of Interface States in Silicon Heterojunction Solar Cells}, volume={110}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.110.136803\">10.1103/physrevlett.110.136803</a>}, number={13}, journal={Physical Review Letters}, author={George, B. M. and Behrends, J. and Schnegg, A. and Schulze, T. F. and Fehr, M. and Korte, L. and Rech, B. and Lips, K. and Rohrmüller, M. and Rauls, E. and et al.}, year={2013} }","ama":"George BM, Behrends J, Schnegg A, et al. Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. <i>Physical Review Letters</i>. 2013;110(13). doi:<a href=\"https://doi.org/10.1103/physrevlett.110.136803\">10.1103/physrevlett.110.136803</a>","mla":"George, B. M., et al. “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells.” <i>Physical Review Letters</i>, vol. 110, no. 13, 2013, doi:<a href=\"https://doi.org/10.1103/physrevlett.110.136803\">10.1103/physrevlett.110.136803</a>."},"doi":"10.1103/physrevlett.110.136803","user_id":"16199","volume":110,"language":[{"iso":"eng"}],"_id":"13528","date_updated":"2025-12-05T10:49:37Z","publication_status":"published","intvolume":"       110","title":"Atomic Structure of Interface States in Silicon Heterojunction Solar Cells","year":"2013","status":"public","publication_identifier":{"issn":["0031-9007","1079-7114"]},"author":[{"last_name":"George","first_name":"B. M.","full_name":"George, B. M."},{"full_name":"Behrends, J.","last_name":"Behrends","first_name":"J."},{"last_name":"Schnegg","first_name":"A.","full_name":"Schnegg, A."},{"first_name":"T. F.","last_name":"Schulze","full_name":"Schulze, T. F."},{"first_name":"M.","last_name":"Fehr","full_name":"Fehr, M."},{"first_name":"L.","last_name":"Korte","full_name":"Korte, L."},{"full_name":"Rech, B.","first_name":"B.","last_name":"Rech"},{"first_name":"K.","last_name":"Lips","full_name":"Lips, K."},{"first_name":"M.","last_name":"Rohrmüller","full_name":"Rohrmüller, M."},{"full_name":"Rauls, E.","last_name":"Rauls","first_name":"E."},{"last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"}]},{"author":[{"last_name":"Rohrmüller","first_name":"M.","full_name":"Rohrmüller, M."},{"full_name":"Herres-Pawlis, S.","last_name":"Herres-Pawlis","first_name":"S."},{"first_name":"M.","last_name":"Witte","full_name":"Witte, M."},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"publication_identifier":{"issn":["0192-8651"]},"status":"public","year":"2013","title":"Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory","intvolume":"        34","publication_status":"published","date_updated":"2025-12-05T10:50:08Z","_id":"13527","language":[{"iso":"eng"}],"page":"1035-1045","volume":34,"user_id":"16199","doi":"10.1002/jcc.23230","citation":{"apa":"Rohrmüller, M., Herres-Pawlis, S., Witte, M., &#38; Schmidt, W. G. (2013). Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory. <i>Journal of Computational Chemistry</i>, <i>34</i>, 1035–1045. <a href=\"https://doi.org/10.1002/jcc.23230\">https://doi.org/10.1002/jcc.23230</a>","ieee":"M. Rohrmüller, S. Herres-Pawlis, M. Witte, and W. G. Schmidt, “Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory,” <i>Journal of Computational Chemistry</i>, vol. 34, pp. 1035–1045, 2013, doi: <a href=\"https://doi.org/10.1002/jcc.23230\">10.1002/jcc.23230</a>.","short":"M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational Chemistry 34 (2013) 1035–1045.","chicago":"Rohrmüller, M., S. Herres-Pawlis, M. Witte, and Wolf Gero Schmidt. “Bis-μ-Oxo and μ-Η2:Η2-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.” <i>Journal of Computational Chemistry</i> 34 (2013): 1035–45. <a href=\"https://doi.org/10.1002/jcc.23230\">https://doi.org/10.1002/jcc.23230</a>.","mla":"Rohrmüller, M., et al. “Bis-μ-Oxo and μ-Η2:Η2-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.” <i>Journal of Computational Chemistry</i>, vol. 34, 2013, pp. 1035–45, doi:<a href=\"https://doi.org/10.1002/jcc.23230\">10.1002/jcc.23230</a>.","ama":"Rohrmüller M, Herres-Pawlis S, Witte M, Schmidt WG. Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory. <i>Journal of Computational Chemistry</i>. 2013;34:1035-1045. doi:<a href=\"https://doi.org/10.1002/jcc.23230\">10.1002/jcc.23230</a>","bibtex":"@article{Rohrmüller_Herres-Pawlis_Witte_Schmidt_2013, title={Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory}, volume={34}, DOI={<a href=\"https://doi.org/10.1002/jcc.23230\">10.1002/jcc.23230</a>}, journal={Journal of Computational Chemistry}, author={Rohrmüller, M. and Herres-Pawlis, S. and Witte, M. and Schmidt, Wolf Gero}, year={2013}, pages={1035–1045} }"},"publication":"Journal of Computational Chemistry","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-30T14:17:17Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article"},{"abstract":[{"text":"The frequency-dependent dielectric function and the second-order polarizability tensor of ferroelectric LiNbO3 are calculated from first principles. The calculations are based on the electronic structure obtained from density-functional theory. The subsequent application of the GW approximation to account for quasiparticle effects and the solution of the Bethe-Salpeter equation for the stoichiometric material yield a dielectric function that slightly overestimates the absorption onset and the oscillator strength in comparison with experimental measurements. Calculations at the level of the independent-particle approximation indicate that these deficiencies are, at least, partially related to the neglect of intrinsic defects typical for the congruent material. The second-order polarizability calculated within the independent-particle approximation predicts strong nonlinear coefficients for photon energies above 1.5 eV. The comparison with measured data suggests that the inclusion of self-energy effects in the nonlinear optical response leads to a better agreement with experiments. The intrinsic defects of congruent samples reduce the optical nonlinearities, in particular, for the 21 and 31 tensor components, further improving the agreement between experiments and theory.","lang":"eng"}],"issue":"19","publication":"Physical Review B","department":[{"_id":"295"},{"_id":"296"},{"_id":"15"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-09-30T14:11:18Z","file":[{"date_created":"2020-08-27T22:06:46Z","file_name":"PhysRevB.87.195208.pdf","access_level":"open_access","creator":"schindlm","description":"© 2013 American Physical Society","relation":"main_file","date_updated":"2020-08-30T14:53:40Z","file_size":791961,"title":"Optical response of stoichiometric and congruent lithium niobate from first-principles calculations","file_id":"18478","content_type":"application/pdf"}],"article_type":"original","intvolume":"        87","publication_status":"published","date_updated":"2025-12-05T10:51:45Z","author":[{"full_name":"Riefer, Arthur","first_name":"Arthur","last_name":"Riefer"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"publication_identifier":{"eissn":["1550-235X"],"issn":["1098-0121"]},"year":"2013","title":"Optical response of stoichiometric and congruent lithium niobate from first-principles calculations","doi":"10.1103/PhysRevB.87.195208","language":[{"iso":"eng"}],"article_number":"195208","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"quality_controlled":"1","isi":"1","citation":{"chicago":"Riefer, Arthur, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” <i>Physical Review B</i> 87, no. 19 (2013). <a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">https://doi.org/10.1103/PhysRevB.87.195208</a>.","short":"A. Riefer, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physical Review B 87 (2013).","ieee":"A. Riefer, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Optical response of stoichiometric and congruent lithium niobate from first-principles calculations,” <i>Physical Review B</i>, vol. 87, no. 19, Art. no. 195208, 2013, doi: <a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">10.1103/PhysRevB.87.195208</a>.","apa":"Riefer, A., Sanna, S., Schindlmayr, A., &#38; Schmidt, W. G. (2013). Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. <i>Physical Review B</i>, <i>87</i>(19), Article 195208. <a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">https://doi.org/10.1103/PhysRevB.87.195208</a>","bibtex":"@article{Riefer_Sanna_Schindlmayr_Schmidt_2013, title={Optical response of stoichiometric and congruent lithium niobate from first-principles calculations}, volume={87}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">10.1103/PhysRevB.87.195208</a>}, number={19195208}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2013} }","ama":"Riefer A, Sanna S, Schindlmayr A, Schmidt WG. Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. <i>Physical Review B</i>. 2013;87(19). doi:<a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">10.1103/PhysRevB.87.195208</a>","mla":"Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” <i>Physical Review B</i>, vol. 87, no. 19, 195208, American Physical Society, 2013, doi:<a href=\"https://doi.org/10.1103/PhysRevB.87.195208\">10.1103/PhysRevB.87.195208</a>."},"file_date_updated":"2020-08-30T14:53:40Z","oa":"1","external_id":{"isi":["000319391000002"]},"has_accepted_license":"1","status":"public","volume":87,"user_id":"16199","ddc":["530"],"publisher":"American Physical Society","_id":"13525"},{"volume":15,"user_id":"16199","_id":"13526","funded_apc":"1","status":"public","citation":{"mla":"Eberhard, Jens, et al. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report and Overview.” <i>CrystEngComm</i>, vol. 15, no. 21, 4225, 2013, doi:<a href=\"https://doi.org/10.1039/c2ce26388b\">10.1039/c2ce26388b</a>.","ama":"Eberhard J, Stoll I, Brockhinke R, et al. Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview. <i>CrystEngComm</i>. 2013;15(21). doi:<a href=\"https://doi.org/10.1039/c2ce26388b\">10.1039/c2ce26388b</a>","bibtex":"@article{Eberhard_Stoll_Brockhinke_Neumann_Stammler_Riefer_Rauls_Schmidt_Mattay_2013, title={Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview}, volume={15}, DOI={<a href=\"https://doi.org/10.1039/c2ce26388b\">10.1039/c2ce26388b</a>}, number={214225}, journal={CrystEngComm}, author={Eberhard, Jens and Stoll, Ion and Brockhinke, Regina and Neumann, Beate and Stammler, Hans-Georg and Riefer, Arthur and Rauls, Eva and Schmidt, Wolf Gero and Mattay, Jochen}, year={2013} }","apa":"Eberhard, J., Stoll, I., Brockhinke, R., Neumann, B., Stammler, H.-G., Riefer, A., Rauls, E., Schmidt, W. G., &#38; Mattay, J. (2013). Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview. <i>CrystEngComm</i>, <i>15</i>(21), Article 4225. <a href=\"https://doi.org/10.1039/c2ce26388b\">https://doi.org/10.1039/c2ce26388b</a>","ieee":"J. Eberhard <i>et al.</i>, “Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview,” <i>CrystEngComm</i>, vol. 15, no. 21, Art. no. 4225, 2013, doi: <a href=\"https://doi.org/10.1039/c2ce26388b\">10.1039/c2ce26388b</a>.","chicago":"Eberhard, Jens, Ion Stoll, Regina Brockhinke, Beate Neumann, Hans-Georg Stammler, Arthur Riefer, Eva Rauls, Wolf Gero Schmidt, and Jochen Mattay. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report and Overview.” <i>CrystEngComm</i> 15, no. 21 (2013). <a href=\"https://doi.org/10.1039/c2ce26388b\">https://doi.org/10.1039/c2ce26388b</a>.","short":"J. Eberhard, I. Stoll, R. Brockhinke, B. Neumann, H.-G. Stammler, A. Riefer, E. Rauls, W.G. Schmidt, J. Mattay, CrystEngComm 15 (2013)."},"doi":"10.1039/c2ce26388b","language":[{"iso":"eng"}],"article_number":"4225","intvolume":"        15","publication_status":"published","date_updated":"2025-12-05T10:50:36Z","author":[{"last_name":"Eberhard","first_name":"Jens","full_name":"Eberhard, Jens"},{"full_name":"Stoll, Ion","first_name":"Ion","last_name":"Stoll"},{"full_name":"Brockhinke, Regina","first_name":"Regina","last_name":"Brockhinke"},{"full_name":"Neumann, Beate","first_name":"Beate","last_name":"Neumann"},{"full_name":"Stammler, Hans-Georg","last_name":"Stammler","first_name":"Hans-Georg"},{"full_name":"Riefer, Arthur","last_name":"Riefer","first_name":"Arthur"},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"full_name":"Mattay, Jochen","first_name":"Jochen","last_name":"Mattay"}],"publication_identifier":{"issn":["1466-8033"]},"year":"2013","title":"Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-09-30T14:15:47Z","issue":"21","publication":"CrystEngComm"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ieee":"M. H. Luk <i>et al.</i>, “Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching,” <i>Physical Review B</i>, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.87.205307\">10.1103/physrevb.87.205307</a>.","apa":"Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder, R., &#38; Schumacher, S. (2013). Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. <i>Physical Review B</i>. <a href=\"https://doi.org/10.1103/physrevb.87.205307\">https://doi.org/10.1103/physrevb.87.205307</a>","short":"M.H. Luk, Y.C. Tse, N.H. Kwong, P.T. Leung, P. Lewandowski, R. Binder, S. Schumacher, Physical Review B (2013).","chicago":"Luk, M. H., Y. C. Tse, N. H. Kwong, P. T. Leung, Przemyslaw Lewandowski, R. Binder, and Stefan Schumacher. “Transverse Optical Instability Patterns in Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.” <i>Physical Review B</i>, 2013. <a href=\"https://doi.org/10.1103/physrevb.87.205307\">https://doi.org/10.1103/physrevb.87.205307</a>.","mla":"Luk, M. H., et al. “Transverse Optical Instability Patterns in Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.” <i>Physical Review B</i>, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.87.205307\">10.1103/physrevb.87.205307</a>.","bibtex":"@article{Luk_Tse_Kwong_Leung_Lewandowski_Binder_Schumacher_2013, title={Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching}, DOI={<a href=\"https://doi.org/10.1103/physrevb.87.205307\">10.1103/physrevb.87.205307</a>}, journal={Physical Review B}, author={Luk, M. H. and Tse, Y. C. and Kwong, N. H. and Leung, P. T. and Lewandowski, Przemyslaw and Binder, R. and Schumacher, Stefan}, year={2013} }","ama":"Luk MH, Tse YC, Kwong NH, et al. Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. <i>Physical Review B</i>. Published online 2013. doi:<a href=\"https://doi.org/10.1103/physrevb.87.205307\">10.1103/physrevb.87.205307</a>"},"publication":"Physical Review B","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2020-02-10T12:02:14Z","date_updated":"2025-12-05T14:54:10Z","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Luk, M. H.","last_name":"Luk","first_name":"M. H."},{"full_name":"Tse, Y. C.","last_name":"Tse","first_name":"Y. C."},{"last_name":"Kwong","first_name":"N. H.","full_name":"Kwong, N. H."},{"last_name":"Leung","first_name":"P. T.","full_name":"Leung, P. T."},{"full_name":"Lewandowski, Przemyslaw","first_name":"Przemyslaw","last_name":"Lewandowski"},{"full_name":"Binder, R.","last_name":"Binder","first_name":"R."},{"id":"27271","first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan"}],"year":"2013","status":"public","title":"Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching","doi":"10.1103/physrevb.87.205307","user_id":"16199","_id":"15868","language":[{"iso":"eng"}]},{"_id":"4353","language":[{"iso":"eng"}],"user_id":"16199","doi":"10.1117/12.2004191","author":[{"id":"27271","full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan"},{"full_name":"Zrenner, Artur","first_name":"Artur","orcid":"0000-0002-5190-0944","last_name":"Zrenner","id":"606"}],"publication_identifier":{"issn":["0277-786X"]},"status":"public","title":"Two-photon physics with quantum-dot biexcitons","year":"2013","article_type":"original","date_updated":"2025-12-05T14:52:46Z","date_created":"2018-09-04T14:18:54Z","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"170"},{"_id":"297"}],"type":"journal_article","citation":{"mla":"Schumacher, Stefan, and Artur Zrenner. “Two-Photon Physics with Quantum-Dot Biexcitons.” <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013, doi:<a href=\"https://doi.org/10.1117/12.2004191\">10.1117/12.2004191</a>.","ama":"Schumacher S, Zrenner A. Two-photon physics with quantum-dot biexcitons. <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>. Published online 2013. doi:<a href=\"https://doi.org/10.1117/12.2004191\">10.1117/12.2004191</a>","bibtex":"@article{Schumacher_Zrenner_2013, title={Two-photon physics with quantum-dot biexcitons}, DOI={<a href=\"https://doi.org/10.1117/12.2004191\">10.1117/12.2004191</a>}, journal={ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII}, author={Schumacher, Stefan and Zrenner, Artur}, year={2013} }","apa":"Schumacher, S., &#38; Zrenner, A. (2013). Two-photon physics with quantum-dot biexcitons. <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>. <a href=\"https://doi.org/10.1117/12.2004191\">https://doi.org/10.1117/12.2004191</a>","ieee":"S. Schumacher and A. Zrenner, “Two-photon physics with quantum-dot biexcitons,” <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013, doi: <a href=\"https://doi.org/10.1117/12.2004191\">10.1117/12.2004191</a>.","short":"S. Schumacher, A. Zrenner, ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII (2013).","chicago":"Schumacher, Stefan, and Artur Zrenner. “Two-Photon Physics with Quantum-Dot Biexcitons.” <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013. <a href=\"https://doi.org/10.1117/12.2004191\">https://doi.org/10.1117/12.2004191</a>."},"publication":"ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII"},{"article_number":"035429","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.88.035429","title":"Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields","year":"2013","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"last_name":"Liu","first_name":"Hong","full_name":"Liu, Hong"},{"full_name":"Schumacher, Stefan","first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","id":"27271"},{"orcid":"0000-0001-8864-2072","last_name":"Meier","first_name":"Torsten","full_name":"Meier, Torsten","id":"344"}],"publication_status":"published","date_updated":"2025-12-05T14:55:03Z","intvolume":"        88","date_created":"2020-02-10T12:04:34Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"297"},{"_id":"230"},{"_id":"35"},{"_id":"27"}],"publication":"Physical Review B","issue":"3","abstract":[{"text":"We derive a transparent and easy-to-use analytic expression for the selection rules and the optical dipole matrix elements for carbon nanotubes of arbitrary chirality in the presence of axial magnetic fields using a single-orbital π-electron tight-binding model. From this, we calculate the linear absorption spectrum for arbitrary polarization directions of the incident light, providing insight into all optically allowed transition. We show that the transverse absorption peaks can be selectively excited with circularly polarized light and spectrally resolved in an axial magnetic field.","lang":"eng"}],"_id":"15871","user_id":"16199","volume":88,"status":"public","citation":{"ieee":"H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields,” <i>Physical Review B</i>, vol. 88, no. 3, Art. no. 035429, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.88.035429\">10.1103/physrevb.88.035429</a>.","apa":"Liu, H., Schumacher, S., &#38; Meier, T. (2013). Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields. <i>Physical Review B</i>, <i>88</i>(3), Article 035429. <a href=\"https://doi.org/10.1103/physrevb.88.035429\">https://doi.org/10.1103/physrevb.88.035429</a>","mla":"Liu, Hong, et al. “Selection Rules and Linear Absorption Spectra of Carbon Nanotubes in Axial Magnetic Fields.” <i>Physical Review B</i>, vol. 88, no. 3, 035429, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.88.035429\">10.1103/physrevb.88.035429</a>.","bibtex":"@article{Liu_Schumacher_Meier_2013, title={Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields}, volume={88}, DOI={<a href=\"https://doi.org/10.1103/physrevb.88.035429\">10.1103/physrevb.88.035429</a>}, number={3035429}, journal={Physical Review B}, author={Liu, Hong and Schumacher, Stefan and Meier, Torsten}, year={2013} }","short":"H. Liu, S. Schumacher, T. Meier, Physical Review B 88 (2013).","ama":"Liu H, Schumacher S, Meier T. Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields. <i>Physical Review B</i>. 2013;88(3). doi:<a href=\"https://doi.org/10.1103/physrevb.88.035429\">10.1103/physrevb.88.035429</a>","chicago":"Liu, Hong, Stefan Schumacher, and Torsten Meier. “Selection Rules and Linear Absorption Spectra of Carbon Nanotubes in Axial Magnetic Fields.” <i>Physical Review B</i> 88, no. 3 (2013). <a href=\"https://doi.org/10.1103/physrevb.88.035429\">https://doi.org/10.1103/physrevb.88.035429</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"publication":"The Journal of Physical Chemistry C","citation":{"ieee":"S. Ling, S. Schumacher, I. Galbraith, and M. J. Paterson, “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes,” <i>The Journal of Physical Chemistry C</i>, pp. 6889–6895, 2013, doi: <a href=\"https://doi.org/10.1021/jp401359a\">10.1021/jp401359a</a>.","apa":"Ling, S., Schumacher, S., Galbraith, I., &#38; Paterson, M. J. (2013). Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. <i>The Journal of Physical Chemistry C</i>, 6889–6895. <a href=\"https://doi.org/10.1021/jp401359a\">https://doi.org/10.1021/jp401359a</a>","chicago":"Ling, Sanliang, Stefan Schumacher, Ian Galbraith, and Martin J. Paterson. “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” <i>The Journal of Physical Chemistry C</i>, 2013, 6889–95. <a href=\"https://doi.org/10.1021/jp401359a\">https://doi.org/10.1021/jp401359a</a>.","short":"S. Ling, S. Schumacher, I. Galbraith, M.J. Paterson, The Journal of Physical Chemistry C (2013) 6889–6895.","mla":"Ling, Sanliang, et al. “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” <i>The Journal of Physical Chemistry C</i>, 2013, pp. 6889–95, doi:<a href=\"https://doi.org/10.1021/jp401359a\">10.1021/jp401359a</a>.","bibtex":"@article{Ling_Schumacher_Galbraith_Paterson_2013, title={Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes}, DOI={<a href=\"https://doi.org/10.1021/jp401359a\">10.1021/jp401359a</a>}, journal={The Journal of Physical Chemistry C}, author={Ling, Sanliang and Schumacher, Stefan and Galbraith, Ian and Paterson, Martin J.}, year={2013}, pages={6889–6895} }","ama":"Ling S, Schumacher S, Galbraith I, Paterson MJ. Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. <i>The Journal of Physical Chemistry C</i>. Published online 2013:6889-6895. doi:<a href=\"https://doi.org/10.1021/jp401359a\">10.1021/jp401359a</a>"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2020-02-10T12:03:41Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"year":"2013","title":"Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes","status":"public","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"full_name":"Ling, Sanliang","first_name":"Sanliang","last_name":"Ling"},{"orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"},{"full_name":"Galbraith, Ian","last_name":"Galbraith","first_name":"Ian"},{"last_name":"Paterson","first_name":"Martin J.","full_name":"Paterson, Martin J."}],"date_updated":"2025-12-05T14:54:35Z","publication_status":"published","page":"6889-6895","language":[{"iso":"eng"}],"_id":"15870","doi":"10.1021/jp401359a","user_id":"16199"},{"publication":"Ferroelectrics","date_created":"2019-10-15T06:45:01Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","publication_identifier":{"issn":["0015-0193","1563-5112"]},"author":[{"last_name":"Riefer","first_name":"A.","full_name":"Riefer, A."},{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468"}],"year":"2013","title":"LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations","intvolume":"       447","publication_status":"published","date_updated":"2025-12-16T07:52:52Z","language":[{"iso":"eng"}],"doi":"10.1080/00150193.2013.821904","citation":{"mla":"Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i>, vol. 447, 2013, pp. 78–85, doi:<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>.","ama":"Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>. 2013;447:78-85. doi:<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>","bibtex":"@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={<a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>}, journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2013}, pages={78–85} }","apa":"Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>, <i>447</i>, 78–85. <a href=\"https://doi.org/10.1080/00150193.2013.821904\">https://doi.org/10.1080/00150193.2013.821904</a>","ieee":"A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” <i>Ferroelectrics</i>, vol. 447, pp. 78–85, 2013, doi: <a href=\"https://doi.org/10.1080/00150193.2013.821904\">10.1080/00150193.2013.821904</a>.","chicago":"Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i> 447 (2013): 78–85. <a href=\"https://doi.org/10.1080/00150193.2013.821904\">https://doi.org/10.1080/00150193.2013.821904</a>.","short":"A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"status":"public","funded_apc":"1","_id":"13819","page":"78-85","volume":447,"user_id":"16199"},{"publisher":"Springer","_id":"18475","page":"93-104","editor":[{"first_name":"Wolfgang E.","last_name":"Nagel","full_name":"Nagel, Wolfgang E."},{"last_name":"Kröner","first_name":"Dietmar H.","full_name":"Kröner, Dietmar H."},{"first_name":"Michael M.","last_name":"Resch","full_name":"Resch, Michael M."}],"user_id":"16199","ddc":["530"],"status":"public","has_accepted_license":"1","place":"Cham","external_id":{"isi":["000360004100009"]},"isi":"1","citation":{"chicago":"Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” In <i>High Performance Computing in Science and Engineering ‘13</i>, edited by Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013. <a href=\"https://doi.org/10.1007/978-3-319-02165-2_8\">https://doi.org/10.1007/978-3-319-02165-2_8</a>.","short":"A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers, R. Hölscher, M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, in: W.E. Nagel, D.H. Kröner, M.M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13, Springer, Cham, 2013, pp. 93–104.","apa":"Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., Hölscher, R., Witte, M., Li, Y., Gerstmann, U., Schindlmayr, A., &#38; Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, &#38; M. M. Resch (Eds.), <i>High Performance Computing in Science and Engineering ‘13</i> (pp. 93–104). Springer. <a href=\"https://doi.org/10.1007/978-3-319-02165-2_8\">https://doi.org/10.1007/978-3-319-02165-2_8</a>","ieee":"A. Riefer <i>et al.</i>, “Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations,” in <i>High Performance Computing in Science and Engineering ‘13</i>, W. E. Nagel, D. H. Kröner, and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.","ama":"Riefer A, Rohrmüller M, Landmann M, et al. Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In: Nagel WE, Kröner DH, Resch MM, eds. <i>High Performance Computing in Science and Engineering ‘13</i>. Transactions of the High Performance Computing Center, Stuttgart. Springer; 2013:93-104. doi:<a href=\"https://doi.org/10.1007/978-3-319-02165-2_8\">10.1007/978-3-319-02165-2_8</a>","bibtex":"@inbook{Riefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et al._2013, place={Cham}, series={Transactions of the High Performance Computing Center, Stuttgart}, title={Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations}, DOI={<a href=\"https://doi.org/10.1007/978-3-319-02165-2_8\">10.1007/978-3-319-02165-2_8</a>}, booktitle={High Performance Computing in Science and Engineering ‘13}, publisher={Springer}, author={Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias and Li, Yanlu and Gerstmann, Uwe and et al.}, editor={Nagel, Wolfgang E. and Kröner, Dietmar H. and Resch, Michael M.}, year={2013}, pages={93–104}, collection={Transactions of the High Performance Computing Center, Stuttgart} }","mla":"Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” <i>High Performance Computing in Science and Engineering ‘13</i>, edited by Wolfgang E. Nagel et al., Springer, 2013, pp. 93–104, doi:<a href=\"https://doi.org/10.1007/978-3-319-02165-2_8\">10.1007/978-3-319-02165-2_8</a>."},"file_date_updated":"2020-08-30T14:57:36Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"quality_controlled":"1","language":[{"iso":"eng"}],"series_title":"Transactions of the High Performance Computing Center, Stuttgart","doi":"10.1007/978-3-319-02165-2_8","publication_identifier":{"isbn":["978-3-319-02164-5"],"eisbn":["978-3-319-02165-2"]},"author":[{"full_name":"Riefer, Arthur","last_name":"Riefer","first_name":"Arthur"},{"last_name":"Rohrmüller","first_name":"Martin","full_name":"Rohrmüller, Martin"},{"first_name":"Marc","last_name":"Landmann","full_name":"Landmann, Marc"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"},{"full_name":"Rauls, Eva","first_name":"Eva","last_name":"Rauls"},{"last_name":"Vollmers","first_name":"Nora Jenny","full_name":"Vollmers, Nora Jenny"},{"first_name":"Rebecca","last_name":"Hölscher","full_name":"Hölscher, Rebecca"},{"first_name":"Matthias","last_name":"Witte","full_name":"Witte, Matthias"},{"first_name":"Yanlu","last_name":"Li","full_name":"Li, Yanlu"},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X"},{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","first_name":"Arno","full_name":"Schindlmayr, Arno","id":"458"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt"}],"title":"Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations","year":"2013","publication_status":"published","date_updated":"2025-12-16T08:07:02Z","date_created":"2020-08-27T21:48:43Z","file":[{"creator":"schindlm","description":"© 2013 Springer International Publishing, Switzerland","date_created":"2020-08-28T15:34:44Z","relation":"main_file","date_updated":"2020-08-30T14:57:36Z","file_name":"Riefer2013_Chapter_LithiumNiobateDielectricFuncti.pdf","access_level":"closed","file_size":517819,"title":"Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations","file_id":"18586","content_type":"application/pdf"}],"department":[{"_id":"296"},{"_id":"295"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"type":"book_chapter","publication":"High Performance Computing in Science and Engineering ‘13","abstract":[{"lang":"eng","text":"The frequency-dependent dielectric function and the second-order polarizability tensor of ferroelectric LiNbO3 are calculated from first principles. The calculations are based on the electronic structure obtained from density-functional theory. The subsequent application of the GW approximation to account for quasiparticle effects and the solution of the Bethe–Salpeter equation yield a dielectric function for the stoichiometric material that slightly overestimates the absorption onset and the oscillator strength in comparison with experimental measurements. Calculations at the level of the independent-particle approximation indicate that these deficiencies are at least partially related to the neglect of intrinsic defects typical for the congruent material. The second-order polarizability calculated within the independent-particle approximation predicts strong nonlinear coefficients for photon energies above 1.5 eV. The comparison with measured data suggests that self-energy effects improve the agreement between experiment and theory. The intrinsic defects of congruent samples reduce the optical nonlinearities, in particular for the 21 and 31 tensor components, further improving the agreement with measured data."}]},{"has_accepted_license":"1","status":"public","user_id":"16199","ddc":["530"],"volume":88,"_id":"18476","publisher":"American Physical Society","quality_controlled":"1","file_date_updated":"2020-08-30T14:58:43Z","isi":"1","citation":{"bibtex":"@article{Yanagisawa_Morikawa_Schindlmayr_2013, title={HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation}, volume={88}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">10.1103/PhysRevB.88.115438</a>}, number={11115438}, journal={Physical Review B}, publisher={American Physical Society}, author={Yanagisawa, Susumu and Morikawa, Yoshitada and Schindlmayr, Arno}, year={2013} }","ama":"Yanagisawa S, Morikawa Y, Schindlmayr A. HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation. <i>Physical Review B</i>. 2013;88(11). doi:<a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">10.1103/PhysRevB.88.115438</a>","mla":"Yanagisawa, Susumu, et al. “HOMO Band Dispersion of Crystalline Rubrene: Effects of Self-Energy Corrections within the GW Approximation.” <i>Physical Review B</i>, vol. 88, no. 11, 115438, American Physical Society, 2013, doi:<a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">10.1103/PhysRevB.88.115438</a>.","chicago":"Yanagisawa, Susumu, Yoshitada Morikawa, and Arno Schindlmayr. “HOMO Band Dispersion of Crystalline Rubrene: Effects of Self-Energy Corrections within the GW Approximation.” <i>Physical Review B</i> 88, no. 11 (2013). <a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">https://doi.org/10.1103/PhysRevB.88.115438</a>.","short":"S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Physical Review B 88 (2013).","ieee":"S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, “HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation,” <i>Physical Review B</i>, vol. 88, no. 11, Art. no. 115438, 2013, doi: <a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">10.1103/PhysRevB.88.115438</a>.","apa":"Yanagisawa, S., Morikawa, Y., &#38; Schindlmayr, A. (2013). HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation. <i>Physical Review B</i>, <i>88</i>(11), Article 115438. <a href=\"https://doi.org/10.1103/PhysRevB.88.115438\">https://doi.org/10.1103/PhysRevB.88.115438</a>"},"oa":"1","external_id":{"isi":["000325175600010"]},"publication_status":"published","date_updated":"2025-12-16T08:08:02Z","article_type":"original","intvolume":"        88","year":"2013","title":"HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation","author":[{"full_name":"Yanagisawa, Susumu","first_name":"Susumu","last_name":"Yanagisawa"},{"last_name":"Morikawa","first_name":"Yoshitada","full_name":"Morikawa, Yoshitada"},{"id":"458","first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno"}],"publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"doi":"10.1103/PhysRevB.88.115438","article_number":"115438","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"We investigate the band dispersion and relevant electronic properties of rubrene single crystals within the GW approximation. Due to the self-energy correction, the dispersion of the highest occupied molecular orbital (HOMO) band increases by 0.10 eV compared to the dispersion of the Kohn-Sham eigenvalues within the generalized gradient approximation, and the effective hole mass consequently decreases. The resulting value of 0.90 times the electron rest mass along the Γ-Y direction in the Brillouin zone is closer to experimental measurements than that obtained from density-functional theory. The enhanced bandwidth is explained in terms of the intermolecular hybridization of the HOMO(Y) wave function along the stacking direction of the molecules. Overall, our results support the bandlike interpretation of charge-carrier transport in rubrene."}],"issue":"11","publication":"Physical Review B","type":"journal_article","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"file":[{"date_updated":"2020-08-30T14:58:43Z","relation":"main_file","file_size":4438475,"title":"HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation","content_type":"application/pdf","file_id":"18477","creator":"schindlm","description":"© 2013 American Physical Society","access_level":"open_access","file_name":"PhysRevB.88.115438.pdf","date_created":"2020-08-27T22:01:50Z"}],"date_created":"2020-08-27T21:59:44Z"},{"status":"public","has_accepted_license":"1","_id":"18479","publisher":"American Physical Society","ddc":["530"],"user_id":"16199","volume":87,"file_date_updated":"2020-08-30T14:54:49Z","isi":"1","citation":{"ieee":"A. Schindlmayr, “Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere,” <i>Physical Review B</i>, vol. 87, no. 7, Art. no. 075104, 2013, doi: <a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">10.1103/PhysRevB.87.075104</a>.","apa":"Schindlmayr, A. (2013). Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere. <i>Physical Review B</i>, <i>87</i>(7), Article 075104. <a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">https://doi.org/10.1103/PhysRevB.87.075104</a>","short":"A. Schindlmayr, Physical Review B 87 (2013).","chicago":"Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in the GW Approximation for Two Electrons on a Sphere.” <i>Physical Review B</i> 87, no. 7 (2013). <a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">https://doi.org/10.1103/PhysRevB.87.075104</a>.","mla":"Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in the GW Approximation for Two Electrons on a Sphere.” <i>Physical Review B</i>, vol. 87, no. 7, 075104, American Physical Society, 2013, doi:<a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">10.1103/PhysRevB.87.075104</a>.","bibtex":"@article{Schindlmayr_2013, title={Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere}, volume={87}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">10.1103/PhysRevB.87.075104</a>}, number={7075104}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno}, year={2013} }","ama":"Schindlmayr A. Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere. <i>Physical Review B</i>. 2013;87(7). doi:<a href=\"https://doi.org/10.1103/PhysRevB.87.075104\">10.1103/PhysRevB.87.075104</a>"},"quality_controlled":"1","external_id":{"isi":["000314682500002"],"arxiv":["1302.6368"]},"oa":"1","title":"Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere","year":"2013","author":[{"full_name":"Schindlmayr, Arno","first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","id":"458"}],"publication_identifier":{"eissn":["1550-235X"],"issn":["1098-0121"]},"date_updated":"2025-12-16T11:08:31Z","publication_status":"published","intvolume":"        87","article_type":"original","article_number":"075104","language":[{"iso":"eng"}],"doi":"10.1103/PhysRevB.87.075104","publication":"Physical Review B","issue":"7","abstract":[{"text":"The GW approximation for the electronic self-energy is an important tool for the quantitative prediction of excited states in solids, but its mathematical exploration is hampered by the fact that it must, in general, be evaluated numerically even for very simple systems. In this paper I describe a nontrivial model consisting of two electrons on the surface of a sphere, interacting with the normal long-range Coulomb potential, and show that the GW self-energy, in the absence of self-consistency, can in fact be derived completely analytically in this case. The resulting expression is subsequently used to analyze the convergence of the energy gap between the highest occupied and the lowest unoccupied quasiparticle orbital with respect to the total number of states included in the spectral summations. The asymptotic formula for the truncation error obtained in this way, whose dominant contribution is proportional to the cutoff energy to the power −3/2, may be adapted to extrapolate energy gaps in other systems.","lang":"eng"}],"file":[{"description":"© 2013 American Physical Society","creator":"schindlm","content_type":"application/pdf","file_id":"18541","title":"Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere","file_size":229196,"date_updated":"2020-08-30T14:54:49Z","relation":"main_file","date_created":"2020-08-28T10:01:56Z","access_level":"open_access","file_name":"PhysRevB.87.075104.pdf"}],"date_created":"2020-08-27T22:09:04Z","type":"journal_article","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}]},{"keyword":["Physics and Astronomy (miscellaneous)","Instrumentation"],"type":"journal_article","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"35"},{"_id":"230"}],"date_created":"2023-01-26T14:32:19Z","publication":"Laser Physics Letters","issue":"7","doi":"10.1088/1612-2011/10/7/075204","article_number":"075204","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T11:16:19Z","intvolume":"        10","title":"Coherent control of interaction and entanglement of a Rydberg atom with few photons","year":"2013","author":[{"full_name":"Sharapova, Polina","last_name":"Sharapova","first_name":"Polina","id":"60286"},{"full_name":"Tikhonova, O V","first_name":"O V","last_name":"Tikhonova"}],"publication_identifier":{"issn":["1612-2011","1612-202X"]},"citation":{"bibtex":"@article{Sharapova_Tikhonova_2013, title={Coherent control of interaction and entanglement of a Rydberg atom with few photons}, volume={10}, DOI={<a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">10.1088/1612-2011/10/7/075204</a>}, number={7075204}, journal={Laser Physics Letters}, publisher={IOP Publishing}, author={Sharapova, Polina and Tikhonova, O V}, year={2013} }","ama":"Sharapova P, Tikhonova OV. Coherent control of interaction and entanglement of a Rydberg atom with few photons. <i>Laser Physics Letters</i>. 2013;10(7). doi:<a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">10.1088/1612-2011/10/7/075204</a>","mla":"Sharapova, Polina, and O. V. Tikhonova. “Coherent Control of Interaction and Entanglement of a Rydberg Atom with Few Photons.” <i>Laser Physics Letters</i>, vol. 10, no. 7, 075204, IOP Publishing, 2013, doi:<a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">10.1088/1612-2011/10/7/075204</a>.","chicago":"Sharapova, Polina, and O V Tikhonova. “Coherent Control of Interaction and Entanglement of a Rydberg Atom with Few Photons.” <i>Laser Physics Letters</i> 10, no. 7 (2013). <a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">https://doi.org/10.1088/1612-2011/10/7/075204</a>.","short":"P. Sharapova, O.V. Tikhonova, Laser Physics Letters 10 (2013).","ieee":"P. Sharapova and O. V. Tikhonova, “Coherent control of interaction and entanglement of a Rydberg atom with few photons,” <i>Laser Physics Letters</i>, vol. 10, no. 7, Art. no. 075204, 2013, doi: <a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">10.1088/1612-2011/10/7/075204</a>.","apa":"Sharapova, P., &#38; Tikhonova, O. V. (2013). Coherent control of interaction and entanglement of a Rydberg atom with few photons. <i>Laser Physics Letters</i>, <i>10</i>(7), Article 075204. <a href=\"https://doi.org/10.1088/1612-2011/10/7/075204\">https://doi.org/10.1088/1612-2011/10/7/075204</a>"},"user_id":"16199","volume":10,"_id":"40403","publisher":"IOP Publishing","status":"public"},{"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"date_created":"2021-08-06T08:57:39Z","publication":"Physical Review B","issue":"16","citation":{"mla":"Sternemann, E., et al. “Femtosecond Quantum Interference Control of Electrical Currents in GaAs: Signatures beyond the Perturbative  χ(3)  Limit.” <i>Physical Review B</i>, vol. 88, no. 16, 165204, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.88.165204\">10.1103/physrevb.88.165204</a>.","bibtex":"@article{Sternemann_Jostmeier_Ruppert_Duc_Meier_Betz_2013, title={Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative  χ(3)  limit}, volume={88}, DOI={<a href=\"https://doi.org/10.1103/physrevb.88.165204\">10.1103/physrevb.88.165204</a>}, number={16165204}, journal={Physical Review B}, author={Sternemann, E. and Jostmeier, T. and Ruppert, C. and Duc, H. T. and Meier, Torsten and Betz, M.}, year={2013} }","ama":"Sternemann E, Jostmeier T, Ruppert C, Duc HT, Meier T, Betz M. Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative  χ(3)  limit. <i>Physical Review B</i>. 2013;88(16). doi:<a href=\"https://doi.org/10.1103/physrevb.88.165204\">10.1103/physrevb.88.165204</a>","ieee":"E. Sternemann, T. Jostmeier, C. Ruppert, H. T. Duc, T. Meier, and M. Betz, “Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative  χ(3)  limit,” <i>Physical Review B</i>, vol. 88, no. 16, Art. no. 165204, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.88.165204\">10.1103/physrevb.88.165204</a>.","apa":"Sternemann, E., Jostmeier, T., Ruppert, C., Duc, H. T., Meier, T., &#38; Betz, M. (2013). Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative  χ(3)  limit. <i>Physical Review B</i>, <i>88</i>(16), Article 165204. <a href=\"https://doi.org/10.1103/physrevb.88.165204\">https://doi.org/10.1103/physrevb.88.165204</a>","short":"E. Sternemann, T. Jostmeier, C. Ruppert, H.T. Duc, T. Meier, M. Betz, Physical Review B 88 (2013).","chicago":"Sternemann, E., T. Jostmeier, C. Ruppert, H. T. Duc, Torsten Meier, and M. Betz. “Femtosecond Quantum Interference Control of Electrical Currents in GaAs: Signatures beyond the Perturbative  χ(3)  Limit.” <i>Physical Review B</i> 88, no. 16 (2013). <a href=\"https://doi.org/10.1103/physrevb.88.165204\">https://doi.org/10.1103/physrevb.88.165204</a>."},"doi":"10.1103/physrevb.88.165204","user_id":"16199","volume":88,"article_number":"165204","_id":"22952","language":[{"iso":"eng"}],"date_updated":"2025-12-16T11:37:58Z","publication_status":"published","intvolume":"        88","title":"Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative  χ(3)  limit","status":"public","year":"2013","author":[{"full_name":"Sternemann, E.","first_name":"E.","last_name":"Sternemann"},{"first_name":"T.","last_name":"Jostmeier","full_name":"Jostmeier, T."},{"full_name":"Ruppert, C.","first_name":"C.","last_name":"Ruppert"},{"full_name":"Duc, H. T.","first_name":"H. T.","last_name":"Duc"},{"id":"344","last_name":"Meier","first_name":"Torsten","orcid":"0000-0001-8864-2072","full_name":"Meier, Torsten"},{"full_name":"Betz, M.","first_name":"M.","last_name":"Betz"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]}},{"volume":86,"doi":"10.1103/physrevb.86.165309","user_id":"42514","publisher":"American Physical Society (APS)","_id":"7300","language":[{"iso":"eng"}],"intvolume":"        86","date_updated":"2022-01-06T07:03:33Z","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Burke, A. M.","last_name":"Burke","first_name":"A. M."},{"last_name":"Waddington","first_name":"D. E. J.","full_name":"Waddington, D. E. J."},{"full_name":"Carrad, D. J.","first_name":"D. J.","last_name":"Carrad"},{"full_name":"Lyttleton, R. W.","last_name":"Lyttleton","first_name":"R. W."},{"full_name":"Tan, H. H.","last_name":"Tan","first_name":"H. H."},{"last_name":"Reece","first_name":"P. J.","full_name":"Reece, P. J."},{"full_name":"Klochan, O.","last_name":"Klochan","first_name":"O."},{"full_name":"Hamilton, A. R.","first_name":"A. R.","last_name":"Hamilton"},{"last_name":"Rai","first_name":"A.","full_name":"Rai, A."},{"id":"37763","first_name":"Dirk","last_name":"Reuter","full_name":"Reuter, Dirk"},{"last_name":"Wieck","first_name":"A. D.","full_name":"Wieck, A. D."},{"full_name":"Micolich, A. P.","first_name":"A. P.","last_name":"Micolich"}],"year":"2012","title":"Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures","status":"public","department":[{"_id":"15"},{"_id":"230"}],"type":"journal_article","date_created":"2019-01-31T09:04:16Z","citation":{"mla":"Burke, A. M., et al. “Origin of Gate Hysteresis Inp-Type Si-Doped AlGaAs/GaAs Heterostructures.” <i>Physical Review B</i>, vol. 86, no. 16, American Physical Society (APS), 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.165309\">10.1103/physrevb.86.165309</a>.","bibtex":"@article{Burke_Waddington_Carrad_Lyttleton_Tan_Reece_Klochan_Hamilton_Rai_Reuter_et al._2012, title={Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.165309\">10.1103/physrevb.86.165309</a>}, number={16}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Burke, A. M. and Waddington, D. E. J. and Carrad, D. J. and Lyttleton, R. W. and Tan, H. H. and Reece, P. J. and Klochan, O. and Hamilton, A. R. and Rai, A. and Reuter, Dirk and et al.}, year={2012} }","ama":"Burke AM, Waddington DEJ, Carrad DJ, et al. Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures. <i>Physical Review B</i>. 2012;86(16). doi:<a href=\"https://doi.org/10.1103/physrevb.86.165309\">10.1103/physrevb.86.165309</a>","ieee":"A. M. Burke <i>et al.</i>, “Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures,” <i>Physical Review B</i>, vol. 86, no. 16, 2012.","apa":"Burke, A. M., Waddington, D. E. J., Carrad, D. J., Lyttleton, R. W., Tan, H. H., Reece, P. J., … Micolich, A. P. (2012). Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures. <i>Physical Review B</i>, <i>86</i>(16). <a href=\"https://doi.org/10.1103/physrevb.86.165309\">https://doi.org/10.1103/physrevb.86.165309</a>","short":"A.M. Burke, D.E.J. Waddington, D.J. Carrad, R.W. Lyttleton, H.H. Tan, P.J. Reece, O. Klochan, A.R. Hamilton, A. Rai, D. Reuter, A.D. Wieck, A.P. Micolich, Physical Review B 86 (2012).","chicago":"Burke, A. M., D. E. J. Waddington, D. J. Carrad, R. W. Lyttleton, H. H. Tan, P. J. Reece, O. Klochan, et al. “Origin of Gate Hysteresis Inp-Type Si-Doped AlGaAs/GaAs Heterostructures.” <i>Physical Review B</i> 86, no. 16 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.165309\">https://doi.org/10.1103/physrevb.86.165309</a>."},"issue":"16","publication":"Physical Review B"}]