[{"language":[{"iso":"eng"}],"article_number":"4225","doi":"10.1039/c2ce26388b","author":[{"full_name":"Eberhard, Jens","first_name":"Jens","last_name":"Eberhard"},{"full_name":"Stoll, Ion","first_name":"Ion","last_name":"Stoll"},{"full_name":"Brockhinke, Regina","last_name":"Brockhinke","first_name":"Regina"},{"full_name":"Neumann, Beate","last_name":"Neumann","first_name":"Beate"},{"first_name":"Hans-Georg","last_name":"Stammler","full_name":"Stammler, Hans-Georg"},{"full_name":"Riefer, Arthur","first_name":"Arthur","last_name":"Riefer"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"full_name":"Mattay, Jochen","last_name":"Mattay","first_name":"Jochen"}],"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","intvolume":"        15","date_updated":"2025-12-05T10:50:36Z","publication_status":"published","date_created":"2019-09-30T14:15:47Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","publication":"CrystEngComm","issue":"21","_id":"13526","funded_apc":"1","volume":15,"user_id":"16199","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>.","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} }","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>","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>.","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>","short":"J. Eberhard, I. Stoll, R. Brockhinke, B. Neumann, H.-G. Stammler, A. Riefer, E. Rauls, W.G. Schmidt, J. Mattay, CrystEngComm 15 (2013).","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>."}},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ieee":"R. Tautz <i>et al.</i>, “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length,” <i>Journal of the American Chemical Society</i>, pp. 4282–4290, 2013, doi: <a href=\"https://doi.org/10.1021/ja309252a\">10.1021/ja309252a</a>.","mla":"Tautz, Raphael, et al. “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.” <i>Journal of the American Chemical Society</i>, 2013, pp. 4282–90, doi:<a href=\"https://doi.org/10.1021/ja309252a\">10.1021/ja309252a</a>.","apa":"Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N., Grancini, G., Allard, S., Scherf, U., Cerullo, G., Schumacher, S., &#38; Feldmann, J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. <i>Journal of the American Chemical Society</i>, 4282–4290. <a href=\"https://doi.org/10.1021/ja309252a\">https://doi.org/10.1021/ja309252a</a>","bibtex":"@article{Tautz_Da Como_Wiebeler_Soavi_Dumsch_Fröhlich_Grancini_Allard_Scherf_Cerullo_et al._2013, title={Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length}, DOI={<a href=\"https://doi.org/10.1021/ja309252a\">10.1021/ja309252a</a>}, journal={Journal of the American Chemical Society}, author={Tautz, Raphael and Da Como, Enrico and Wiebeler, Christian and Soavi, Giancarlo and Dumsch, Ines and Fröhlich, Nils and Grancini, Giulia and Allard, Sybille and Scherf, Ullrich and Cerullo, Giulio and et al.}, year={2013}, pages={4282–4290} }","chicago":"Tautz, Raphael, Enrico Da Como, Christian Wiebeler, Giancarlo Soavi, Ines Dumsch, Nils Fröhlich, Giulia Grancini, et al. “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.” <i>Journal of the American Chemical Society</i>, 2013, 4282–90. <a href=\"https://doi.org/10.1021/ja309252a\">https://doi.org/10.1021/ja309252a</a>.","short":"R. Tautz, E. Da Como, C. Wiebeler, G. Soavi, I. Dumsch, N. Fröhlich, G. Grancini, S. Allard, U. Scherf, G. Cerullo, S. Schumacher, J. Feldmann, Journal of the American Chemical Society (2013) 4282–4290.","ama":"Tautz R, Da Como E, Wiebeler C, et al. Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. <i>Journal of the American Chemical Society</i>. 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H., Tse, Y. C., Kwong, N. H., Lücke, A., Abbarchi, M., Baudin, E., Galopin, E., Bloch, J., Lemaitre, A., Leung, P. T., Roussignol, P., Binder, R., Tignon, J., &#38; Schumacher, S. (2013). Formation and control of Turing patterns in a coherent quantum fluid. <i>Scientific Reports</i>. <a href=\"https://doi.org/10.1038/srep03016\">https://doi.org/10.1038/srep03016</a>","ieee":"V. Ardizzone <i>et al.</i>, “Formation and control of Turing patterns in a coherent quantum fluid,” <i>Scientific Reports</i>, 2013, doi: <a href=\"https://doi.org/10.1038/srep03016\">10.1038/srep03016</a>.","short":"V. Ardizzone, P. Lewandowski, M.H. Luk, Y.C. Tse, N.H. Kwong, A. Lücke, M. Abbarchi, E. Baudin, E. Galopin, J. Bloch, A. Lemaitre, P.T. Leung, P. Roussignol, R. Binder, J. Tignon, S. Schumacher, Scientific Reports (2013).","chicago":"Ardizzone, Vincenzo, Przemyslaw Lewandowski, M. H. Luk, Y. C. Tse, N. H. 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H. and Lücke, Andreas and Abbarchi, Marco and Baudin, Emmanuel and Galopin, Elisabeth and Bloch, Jacqueline and et al.}, year={2013} }"},"publication":"Scientific Reports","doi":"10.1038/srep03016","user_id":"16199","language":[{"iso":"eng"}],"_id":"15866","date_updated":"2025-12-05T14:53:15Z","publication_status":"published","publication_identifier":{"issn":["2045-2322"]},"author":[{"last_name":"Ardizzone","first_name":"Vincenzo","full_name":"Ardizzone, Vincenzo"},{"last_name":"Lewandowski","first_name":"Przemyslaw","full_name":"Lewandowski, Przemyslaw"},{"full_name":"Luk, M. H.","first_name":"M. H.","last_name":"Luk"},{"last_name":"Tse","first_name":"Y. C.","full_name":"Tse, Y. C."},{"full_name":"Kwong, N. H.","first_name":"N. 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T."},{"full_name":"Lewandowski, Przemyslaw","last_name":"Lewandowski","first_name":"Przemyslaw"},{"last_name":"Binder","first_name":"R.","full_name":"Binder, R."},{"id":"27271","full_name":"Schumacher, Stefan","first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher"}],"publication_identifier":{"issn":["1098-0121","1550-235X"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2020-02-10T12:02:14Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"Physical Review B","citation":{"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. 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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>"}},{"publication":"ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII","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>.","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} }","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>","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>.","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>","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>."},"date_created":"2018-09-04T14:18:54Z","type":"journal_article","department":[{"_id":"15"},{"_id":"230"},{"_id":"35"},{"_id":"170"},{"_id":"297"}],"status":"public","year":"2013","title":"Two-photon physics with quantum-dot biexcitons","author":[{"last_name":"Schumacher","orcid":"0000-0003-4042-4951","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"},{"id":"606","orcid":"0000-0002-5190-0944","first_name":"Artur","last_name":"Zrenner","full_name":"Zrenner, Artur"}],"publication_identifier":{"issn":["0277-786X"]},"date_updated":"2025-12-05T14:52:46Z","article_type":"original","language":[{"iso":"eng"}],"_id":"4353","user_id":"16199","doi":"10.1117/12.2004191"},{"title":"Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields","year":"2013","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Liu, Hong","first_name":"Hong","last_name":"Liu"},{"first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","full_name":"Schumacher, Stefan","id":"27271"},{"full_name":"Meier, Torsten","orcid":"0000-0001-8864-2072","last_name":"Meier","first_name":"Torsten","id":"344"}],"date_updated":"2025-12-05T14:55:03Z","publication_status":"published","intvolume":"        88","article_number":"035429","language":[{"iso":"eng"}],"doi":"10.1103/physrevb.88.035429","issue":"3","publication":"Physical Review B","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"}],"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"}],"status":"public","_id":"15871","user_id":"16199","volume":88,"citation":{"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} }","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>.","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>","short":"H. Liu, S. Schumacher, T. Meier, Physical Review B 88 (2013).","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>.","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>.","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>"},"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_status":"published","date_updated":"2025-12-05T14:54:35Z","title":"Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes","year":"2013","status":"public","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"first_name":"Sanliang","last_name":"Ling","full_name":"Ling, Sanliang"},{"id":"27271","full_name":"Schumacher, Stefan","last_name":"Schumacher","first_name":"Stefan","orcid":"0000-0003-4042-4951"},{"full_name":"Galbraith, Ian","last_name":"Galbraith","first_name":"Ian"},{"last_name":"Paterson","first_name":"Martin J.","full_name":"Paterson, Martin J."}],"user_id":"16199","doi":"10.1021/jp401359a","page":"6889-6895","_id":"15870","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"The Journal of Physical Chemistry C","citation":{"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. 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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.","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>.","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.","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>","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} }","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>","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","doi":"10.1007/978-3-319-02165-2_8","series_title":"Transactions of the High Performance Computing Center, Stuttgart","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T08:07:02Z","publication_identifier":{"eisbn":["978-3-319-02165-2"],"isbn":["978-3-319-02164-5"]},"author":[{"first_name":"Arthur","last_name":"Riefer","full_name":"Riefer, Arthur"},{"full_name":"Rohrmüller, Martin","first_name":"Martin","last_name":"Rohrmüller"},{"last_name":"Landmann","first_name":"Marc","full_name":"Landmann, Marc"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"},{"full_name":"Rauls, Eva","last_name":"Rauls","first_name":"Eva"},{"last_name":"Vollmers","first_name":"Nora Jenny","full_name":"Vollmers, Nora Jenny"},{"first_name":"Rebecca","last_name":"Hölscher","full_name":"Hölscher, Rebecca"},{"last_name":"Witte","first_name":"Matthias","full_name":"Witte, Matthias"},{"last_name":"Li","first_name":"Yanlu","full_name":"Li, Yanlu"},{"orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171"},{"id":"458","first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno"},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"}],"title":"Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations","year":"2013","department":[{"_id":"296"},{"_id":"295"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"790"},{"_id":"230"},{"_id":"27"}],"type":"book_chapter","date_created":"2020-08-27T21:48:43Z","file":[{"creator":"schindlm","description":"© 2013 Springer International Publishing, Switzerland","date_created":"2020-08-28T15:34:44Z","date_updated":"2020-08-30T14:57:36Z","relation":"main_file","access_level":"closed","file_size":517819,"file_name":"Riefer2013_Chapter_LithiumNiobateDielectricFuncti.pdf","title":"Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations","content_type":"application/pdf","file_id":"18586"}],"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 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.","lang":"eng"}],"publication":"High Performance Computing in Science and Engineering ‘13"},{"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","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"type":"journal_article","date_created":"2020-08-27T21:59:44Z","file":[{"creator":"schindlm","description":"© 2013 American Physical Society","file_size":4438475,"relation":"main_file","date_updated":"2020-08-30T14:58:43Z","file_id":"18477","content_type":"application/pdf","title":"HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation","date_created":"2020-08-27T22:01:50Z","file_name":"PhysRevB.88.115438.pdf","access_level":"open_access"}],"article_type":"original","intvolume":"        88","publication_status":"published","date_updated":"2025-12-16T08:08:02Z","author":[{"last_name":"Yanagisawa","first_name":"Susumu","full_name":"Yanagisawa, Susumu"},{"last_name":"Morikawa","first_name":"Yoshitada","full_name":"Morikawa, Yoshitada"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","first_name":"Arno","orcid":"0000-0002-4855-071X"}],"publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"year":"2013","title":"HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation","doi":"10.1103/PhysRevB.88.115438","language":[{"iso":"eng"}],"article_number":"115438","quality_controlled":"1","citation":{"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>","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>.","short":"S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Physical Review B 88 (2013).","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>.","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>.","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>","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} }"},"isi":"1","file_date_updated":"2020-08-30T14:58:43Z","oa":"1","external_id":{"isi":["000325175600010"]},"has_accepted_license":"1","status":"public","volume":88,"user_id":"16199","ddc":["530"],"_id":"18476","publisher":"American Physical Society"},{"language":[{"iso":"eng"}],"article_number":"075104","doi":"10.1103/PhysRevB.87.075104","publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"author":[{"id":"458","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno"}],"year":"2013","title":"Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere","article_type":"original","intvolume":"        87","publication_status":"published","date_updated":"2025-12-16T11:08:31Z","date_created":"2020-08-27T22:09:04Z","file":[{"date_created":"2020-08-28T10:01:56Z","file_name":"PhysRevB.87.075104.pdf","access_level":"open_access","description":"© 2013 American Physical Society","creator":"schindlm","file_id":"18541","content_type":"application/pdf","title":"Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere","file_size":229196,"relation":"main_file","date_updated":"2020-08-30T14:54:49Z"}],"department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"type":"journal_article","publication":"Physical Review B","issue":"7","abstract":[{"lang":"eng","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."}],"publisher":"American Physical Society","_id":"18479","volume":87,"user_id":"16199","ddc":["530"],"status":"public","has_accepted_license":"1","external_id":{"isi":["000314682500002"],"arxiv":["1302.6368"]},"oa":"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>"},"isi":"1","file_date_updated":"2020-08-30T14:54:49Z","quality_controlled":"1"},{"citation":{"short":"P. Sharapova, O.V. Tikhonova, Laser Physics Letters 10 (2013).","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>.","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>","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>."},"_id":"40403","publisher":"IOP Publishing","volume":10,"user_id":"16199","status":"public","date_created":"2023-01-26T14:32:19Z","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","keyword":["Physics and Astronomy (miscellaneous)","Instrumentation"],"publication":"Laser Physics Letters","issue":"7","language":[{"iso":"eng"}],"article_number":"075204","doi":"10.1088/1612-2011/10/7/075204","author":[{"last_name":"Sharapova","first_name":"Polina","full_name":"Sharapova, Polina","id":"60286"},{"full_name":"Tikhonova, O V","last_name":"Tikhonova","first_name":"O V"}],"publication_identifier":{"issn":["1612-2011","1612-202X"]},"year":"2013","title":"Coherent control of interaction and entanglement of a Rydberg atom with few photons","intvolume":"        10","date_updated":"2025-12-16T11:16:19Z","publication_status":"published"},{"date_created":"2021-08-06T08:57:39Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"230"},{"_id":"35"}],"type":"journal_article","citation":{"chicago":"Sternemann, E., T. 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Lyko, K. Höffner, R. Speck, A.-C.N. Ngomo, J. Lehmann, in: The Semantic Web: ESWC 2013 Satellite Events: ESWC 2013 Satellite Events, Montpellier, France, May 26-30, 2013, Revised Selected Papers 10, 2013, pp. 167–172.","ieee":"K. Lyko, K. Höffner, R. Speck, A.-C. N. Ngomo, and J. Lehmann, “SAIM–One step closer to zero-configuration link discovery,” in <i>The Semantic Web: ESWC 2013 Satellite Events: ESWC 2013 Satellite Events, Montpellier, France, May 26-30, 2013, Revised Selected Papers 10</i>, 2013, pp. 167–172.","apa":"Lyko, K., Höffner, K., Speck, R., Ngomo, A.-C. N., &#38; Lehmann, J. (2013). 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Ubuz (Ed.), <i>Proceedings of the 8th Congress of the European Society for Research in Mathematics Education (CERME 8) Antalya February 2013</i> (pp. 86–95).","ieee":"R. Biehler and L. Kempen, “Students’ use of variables and examples in their transition from generic proof to formal proof,” in <i>Proceedings of the 8th Congress of the European Society for Research in Mathematics Education (CERME 8) Antalya February 2013</i>, B. Ubuz, Ed. 2013, pp. 86–95.","short":"R. Biehler, L. Kempen, in: B. Ubuz (Ed.), Proceedings of the 8th Congress of the European Society for Research in Mathematics Education (CERME 8) Antalya February 2013, 2013, pp. 86–95.","chicago":"Biehler, Rolf, and Leander Kempen. “Students’ Use of Variables and Examples in Their Transition from Generic Proof to Formal Proof.” In <i>Proceedings of the 8th Congress of the European Society for Research in Mathematics Education (CERME 8) Antalya February 2013</i>, edited by B. 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Extended Abstracts Zur 2. Khdm-Arbeitstagung 20.02. - 23.02.2013</i>, edited by Axel Hoppenbrock, S. Schreiber, Robin Göller, Rolf Biehler, B. Büchler, Reinhard Hochmuth, and H.-G. Rück, 19–20. Kassel: Universität Kassel, 2013.","short":"S. Becher, R. Biehler, P. Fischer, R. Hochmuth, T. Wassong, in: A. Hoppenbrock, S. Schreiber, R. Göller, R. Biehler, B. Büchler, R. Hochmuth, H.-G. Rück (Eds.), Mathematik Im Übergang Schule/Hochschule Und Im Ersten Studienjahr. Extended Abstracts Zur 2. Khdm-Arbeitstagung 20.02. - 23.02.2013, Universität Kassel, Kassel, 2013, pp. 19–20.","apa":"Becher, S., Biehler, R., Fischer, P., Hochmuth, R., &#38; Wassong, T. (2013). Analyse der mathematischen Kompetenzen von Studienanfängern an den Universitäten Kassel und Paderborn. In A. Hoppenbrock, S. Schreiber, R. Göller, R. Biehler, B. Büchler, R. Hochmuth, &#38; H.-G. Rück (Eds.), <i>Mathematik im Übergang Schule/Hochschule und im ersten Studienjahr. Extended Abstracts zur 2. khdm-Arbeitstagung 20.02. - 23.02.2013</i> (pp. 19–20). Universität Kassel.","ieee":"S. Becher, R. Biehler, P. Fischer, R. Hochmuth, and T. Wassong, “Analyse der mathematischen Kompetenzen von Studienanfängern an den Universitäten Kassel und Paderborn,” in <i>Mathematik im Übergang Schule/Hochschule und im ersten Studienjahr. Extended Abstracts zur 2. khdm-Arbeitstagung 20.02. - 23.02.2013</i>, A. Hoppenbrock, S. Schreiber, R. Göller, R. Biehler, B. Büchler, R. Hochmuth, and H.-G. Rück, Eds. Kassel: Universität Kassel, 2013, pp. 19–20.","ama":"Becher S, Biehler R, Fischer P, Hochmuth R, Wassong T. Analyse der mathematischen Kompetenzen von Studienanfängern an den Universitäten Kassel und Paderborn. In: Hoppenbrock A, Schreiber S, Göller R, et al., eds. <i>Mathematik Im Übergang Schule/Hochschule Und Im Ersten Studienjahr. Extended Abstracts Zur 2. Khdm-Arbeitstagung 20.02. - 23.02.2013</i>. Universität Kassel; 2013:19-20.","bibtex":"@inbook{Becher_Biehler_Fischer_Hochmuth_Wassong_2013, place={Kassel}, title={Analyse der mathematischen Kompetenzen von Studienanfängern an den Universitäten Kassel und Paderborn}, booktitle={Mathematik im Übergang Schule/Hochschule und im ersten Studienjahr. Extended Abstracts zur 2. khdm-Arbeitstagung 20.02. - 23.02.2013}, publisher={Universität Kassel}, author={Becher, Silvia and Biehler, Rolf and Fischer, Pascal and Hochmuth, Reinhard and Wassong, Thomas}, editor={Hoppenbrock, Axel and Schreiber, S. and Göller, Robin and Biehler, Rolf and Büchler, B. and Hochmuth, Reinhard and Rück, H.-G.}, year={2013}, pages={19–20} }","mla":"Becher, Silvia, et al. “Analyse Der Mathematischen Kompetenzen von Studienanfängern an Den Universitäten Kassel Und Paderborn.” <i>Mathematik Im Übergang Schule/Hochschule Und Im Ersten Studienjahr. Extended Abstracts Zur 2. Khdm-Arbeitstagung 20.02. - 23.02.2013</i>, edited by Axel Hoppenbrock et al., Universität Kassel, 2013, pp. 19–20."},"publication":"Mathematik im Übergang Schule/Hochschule und im ersten Studienjahr. Extended Abstracts zur 2. khdm-Arbeitstagung 20.02. - 23.02.2013","date_created":"2024-11-26T11:32:43Z","place":"Kassel","department":[{"_id":"363"}],"type":"book_chapter"}]