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Theoretical study of the localization of excess electrons at the surface of ice. <i>Journal of Physics: Condensed Matter</i>. 2008;20. doi:<a href=\"https://doi.org/10.1088/0953-8984/20/22/225003\">10.1088/0953-8984/20/22/225003</a>"}},{"volume":112,"user_id":"16199","doi":"10.1021/jp8037297","_id":"13668","language":[{"iso":"eng"}],"page":"11490-11494","intvolume":"       112","publication_status":"published","date_updated":"2025-12-05T13:09:37Z","publication_identifier":{"issn":["1932-7447"]},"author":[{"full_name":"Rauls, E.","last_name":"Rauls","first_name":"E."},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468"}],"title":"Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)","year":"2008","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-09T09:29:21Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” <i>Journal of Physical Chemistry C</i>, vol. 112, 2008, pp. 11490–94, doi:<a href=\"https://doi.org/10.1021/jp8037297\">10.1021/jp8037297</a>.","ama":"Rauls E, Schmidt WG. Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). <i>Journal of Physical Chemistry C</i>. 2008;112:11490-11494. doi:<a href=\"https://doi.org/10.1021/jp8037297\">10.1021/jp8037297</a>","bibtex":"@article{Rauls_Schmidt_2008, title={Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)}, volume={112}, DOI={<a href=\"https://doi.org/10.1021/jp8037297\">10.1021/jp8037297</a>}, journal={Journal of Physical Chemistry C}, author={Rauls, E. and Schmidt, Wolf Gero}, year={2008}, pages={11490–11494} }","apa":"Rauls, E., &#38; Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). <i>Journal of Physical Chemistry C</i>, <i>112</i>, 11490–11494. <a href=\"https://doi.org/10.1021/jp8037297\">https://doi.org/10.1021/jp8037297</a>","ieee":"E. Rauls and W. G. Schmidt, “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110),” <i>Journal of Physical Chemistry C</i>, vol. 112, pp. 11490–11494, 2008, doi: <a href=\"https://doi.org/10.1021/jp8037297\">10.1021/jp8037297</a>.","short":"E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.","chicago":"Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” <i>Journal of Physical Chemistry C</i> 112 (2008): 11490–94. <a href=\"https://doi.org/10.1021/jp8037297\">https://doi.org/10.1021/jp8037297</a>."},"publication":"Journal of Physical Chemistry C"},{"volume":603,"doi":"10.1016/j.susc.2008.11.013","user_id":"16199","language":[{"iso":"eng"}],"_id":"13663","page":"247-250","intvolume":"       603","date_updated":"2025-12-05T13:10:24Z","publication_status":"published","publication_identifier":{"issn":["0039-6028"]},"author":[{"last_name":"Wippermann","first_name":"S.","full_name":"Wippermann, S."},{"id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076"}],"status":"public","year":"2008","title":"Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-09T09:14:38Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ama":"Wippermann S, Schmidt WG. Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. <i>Surface Science</i>. 2008;603:247-250. doi:<a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">10.1016/j.susc.2008.11.013</a>","bibtex":"@article{Wippermann_Schmidt_2008, title={Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array}, volume={603}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">10.1016/j.susc.2008.11.013</a>}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008}, pages={247–250} }","mla":"Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” <i>Surface Science</i>, vol. 603, 2008, pp. 247–50, doi:<a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">10.1016/j.susc.2008.11.013</a>.","short":"S. Wippermann, W.G. Schmidt, Surface Science 603 (2008) 247–250.","chicago":"Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” <i>Surface Science</i> 603 (2008): 247–50. <a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">https://doi.org/10.1016/j.susc.2008.11.013</a>.","apa":"Wippermann, S., &#38; Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. <i>Surface Science</i>, <i>603</i>, 247–250. <a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">https://doi.org/10.1016/j.susc.2008.11.013</a>","ieee":"S. Wippermann and W. G. Schmidt, “Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array,” <i>Surface Science</i>, vol. 603, pp. 247–250, 2008, doi: <a href=\"https://doi.org/10.1016/j.susc.2008.11.013\">10.1016/j.susc.2008.11.013</a>."},"publication":"Surface Science"},{"volume":78,"doi":"10.1103/physrevb.78.233411","user_id":"16199","funded_apc":"1","_id":"13667","language":[{"iso":"eng"}],"intvolume":"        78","date_updated":"2025-12-05T13:10:46Z","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"first_name":"S.","last_name":"Blankenburg","full_name":"Blankenburg, S."},{"last_name":"Schmidt","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"year":"2008","status":"public","title":"Spatial modulation of molecular adsorption energies due to indirect interaction","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"type":"journal_article","date_created":"2019-10-09T09:28:08Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@article{Blankenburg_Schmidt_2008, title={Spatial modulation of molecular adsorption energies due to indirect interaction}, volume={78}, DOI={<a href=\"https://doi.org/10.1103/physrevb.78.233411\">10.1103/physrevb.78.233411</a>}, journal={Physical Review B}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2008} }","ama":"Blankenburg S, Schmidt WG. Spatial modulation of molecular adsorption energies due to indirect interaction. <i>Physical Review B</i>. 2008;78. doi:<a href=\"https://doi.org/10.1103/physrevb.78.233411\">10.1103/physrevb.78.233411</a>","mla":"Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” <i>Physical Review B</i>, vol. 78, 2008, doi:<a href=\"https://doi.org/10.1103/physrevb.78.233411\">10.1103/physrevb.78.233411</a>.","short":"S. Blankenburg, W.G. Schmidt, Physical Review B 78 (2008).","chicago":"Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” <i>Physical Review B</i> 78 (2008). <a href=\"https://doi.org/10.1103/physrevb.78.233411\">https://doi.org/10.1103/physrevb.78.233411</a>.","ieee":"S. Blankenburg and W. G. Schmidt, “Spatial modulation of molecular adsorption energies due to indirect interaction,” <i>Physical Review B</i>, vol. 78, 2008, doi: <a href=\"https://doi.org/10.1103/physrevb.78.233411\">10.1103/physrevb.78.233411</a>.","apa":"Blankenburg, S., &#38; Schmidt, W. G. (2008). Spatial modulation of molecular adsorption energies due to indirect interaction. <i>Physical Review B</i>, <i>78</i>. <a href=\"https://doi.org/10.1103/physrevb.78.233411\">https://doi.org/10.1103/physrevb.78.233411</a>"},"publication":"Physical Review B"},{"doi":"10.1103/PhysRevB.77.235428","article_number":"235428","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2025-12-16T11:11:03Z","article_type":"original","intvolume":"        77","title":"Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach","year":"2008","publication_identifier":{"eissn":["1550-235X"],"issn":["1098-0121"]},"author":[{"full_name":"Freysoldt, Christoph","last_name":"Freysoldt","first_name":"Christoph"},{"full_name":"Eggert, Philipp","first_name":"Philipp","last_name":"Eggert"},{"full_name":"Rinke, Patrick","last_name":"Rinke","first_name":"Patrick"},{"id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"}],"type":"journal_article","department":[{"_id":"296"},{"_id":"35"},{"_id":"170"},{"_id":"230"}],"file":[{"access_level":"open_access","file_name":"PhysRevB.77.235428.pdf","date_created":"2020-08-28T11:51:42Z","content_type":"application/pdf","file_id":"18565","title":"Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach","file_size":286723,"date_updated":"2020-08-30T15:32:46Z","relation":"main_file","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","creator":"schindlm"}],"date_created":"2020-08-28T11:50:14Z","abstract":[{"text":"In the context of photoelectron spectroscopy, the GW approach has developed into the method of choice for computing excitation spectra of weakly correlated bulk systems and their surfaces. To employ the established computational schemes that have been developed for three-dimensional crystals, two-dimensional systems are typically treated in the repeated-slab approach. In this work we critically examine this approach and identify three important aspects for which the treatment of long-range screening in two dimensions differs from the bulk: (1) anisotropy of the macroscopic screening, (2) k-point sampling parallel to the surface, (3) periodic repetition and slab-slab interaction. For prototypical semiconductor (silicon) and ionic (NaCl) thin films we quantify the individual contributions of points (1) to (3) and develop robust and efficient correction schemes derived from the classic theory of dielectric screening.","lang":"eng"}],"issue":"23","publication":"Physical Review B","user_id":"16199","ddc":["530"],"volume":77,"_id":"18564","publisher":"American Physical Society","has_accepted_license":"1","status":"public","oa":"1","external_id":{"arxiv":["0801.1714"],"isi":["000257289500118"]},"quality_controlled":"1","file_date_updated":"2020-08-30T15:32:46Z","citation":{"ama":"Freysoldt C, Eggert P, Rinke P, Schindlmayr A, Scheffler M. Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. <i>Physical Review B</i>. 2008;77(23). doi:<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>","bibtex":"@article{Freysoldt_Eggert_Rinke_Schindlmayr_Scheffler_2008, title={Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach}, volume={77}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>}, number={23235428}, journal={Physical Review B}, publisher={American Physical Society}, author={Freysoldt, Christoph and Eggert, Philipp and Rinke, Patrick and Schindlmayr, Arno and Scheffler, Matthias}, year={2008} }","mla":"Freysoldt, Christoph, et al. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” <i>Physical Review B</i>, vol. 77, no. 23, 235428, American Physical Society, 2008, doi:<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>.","short":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, M. Scheffler, Physical Review B 77 (2008).","chicago":"Freysoldt, Christoph, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, and Matthias Scheffler. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” <i>Physical Review B</i> 77, no. 23 (2008). <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">https://doi.org/10.1103/PhysRevB.77.235428</a>.","apa":"Freysoldt, C., Eggert, P., Rinke, P., Schindlmayr, A., &#38; Scheffler, M. (2008). Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. <i>Physical Review B</i>, <i>77</i>(23), Article 235428. <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">https://doi.org/10.1103/PhysRevB.77.235428</a>","ieee":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, and M. Scheffler, “Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach,” <i>Physical Review B</i>, vol. 77, no. 23, Art. no. 235428, 2008, doi: <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>."},"isi":"1"},{"author":[{"full_name":"Nau, D.","first_name":"D.","last_name":"Nau"},{"full_name":"Schönhardt, A.","first_name":"A.","last_name":"Schönhardt"},{"last_name":"Bauer","first_name":"Ch.","full_name":"Bauer, Ch."},{"full_name":"Christ, A.","last_name":"Christ","first_name":"A."},{"id":"30525","full_name":"Zentgraf, Thomas","first_name":"Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101"},{"first_name":"J.","last_name":"Kuhl","full_name":"Kuhl, J."},{"full_name":"Klein, M. W.","first_name":"M. W.","last_name":"Klein"},{"full_name":"Giessen, H.","first_name":"H.","last_name":"Giessen"}],"publication_identifier":{"issn":["0031-9007","1079-7114"]},"year":"2007","status":"public","title":"Correlation Effects in Disordered Metallic Photonic Crystal Slabs","intvolume":"        98","date_updated":"2022-01-06T06:53:14Z","publication_status":"published","_id":"1755","publisher":"American Physical Society (APS)","volume":98,"doi":"10.1103/physrevlett.98.133902","user_id":"30525","citation":{"apa":"Nau, D., Schönhardt, A., Bauer, C., Christ, A., Zentgraf, T., Kuhl, J., … Giessen, H. (2007). Correlation Effects in Disordered Metallic Photonic Crystal Slabs. <i>Physical Review Letters</i>, <i>98</i>(13). <a href=\"https://doi.org/10.1103/physrevlett.98.133902\">https://doi.org/10.1103/physrevlett.98.133902</a>","ieee":"D. Nau <i>et al.</i>, “Correlation Effects in Disordered Metallic Photonic Crystal Slabs,” <i>Physical Review Letters</i>, vol. 98, no. 13, 2007.","short":"D. Nau, A. Schönhardt, C. Bauer, A. Christ, T. Zentgraf, J. Kuhl, M.W. Klein, H. Giessen, Physical Review Letters 98 (2007).","chicago":"Nau, D., A. Schönhardt, Ch. Bauer, A. Christ, Thomas Zentgraf, J. Kuhl, M. W. Klein, and H. Giessen. “Correlation Effects in Disordered Metallic Photonic Crystal Slabs.” <i>Physical Review Letters</i> 98, no. 13 (2007). <a href=\"https://doi.org/10.1103/physrevlett.98.133902\">https://doi.org/10.1103/physrevlett.98.133902</a>.","mla":"Nau, D., et al. “Correlation Effects in Disordered Metallic Photonic Crystal Slabs.” <i>Physical Review Letters</i>, vol. 98, no. 13, American Physical Society (APS), 2007, doi:<a href=\"https://doi.org/10.1103/physrevlett.98.133902\">10.1103/physrevlett.98.133902</a>.","ama":"Nau D, Schönhardt A, Bauer C, et al. Correlation Effects in Disordered Metallic Photonic Crystal Slabs. <i>Physical Review Letters</i>. 2007;98(13). doi:<a href=\"https://doi.org/10.1103/physrevlett.98.133902\">10.1103/physrevlett.98.133902</a>","bibtex":"@article{Nau_Schönhardt_Bauer_Christ_Zentgraf_Kuhl_Klein_Giessen_2007, title={Correlation Effects in Disordered Metallic Photonic Crystal Slabs}, volume={98}, DOI={<a href=\"https://doi.org/10.1103/physrevlett.98.133902\">10.1103/physrevlett.98.133902</a>}, number={13}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Nau, D. and Schönhardt, A. and Bauer, Ch. and Christ, A. and Zentgraf, Thomas and Kuhl, J. and Klein, M. W. and Giessen, H.}, year={2007} }"},"issue":"13","publication":"Physical Review Letters","date_created":"2018-03-23T13:04:10Z","department":[{"_id":"15"},{"_id":"230"}],"type":"journal_article"},{"user_id":"30525","doi":"10.1103/physrevb.75.205102","volume":75,"_id":"1756","publisher":"American Physical Society (APS)","publication_status":"published","date_updated":"2022-01-06T06:53:14Z","intvolume":"        75","status":"public","title":"Lorentz model for metamaterials: Optical frequency resonance circuits","year":"2007","publication_identifier":{"issn":["1098-0121","1550-235X"]},"author":[{"full_name":"Meyrath, T. P.","first_name":"T. P.","last_name":"Meyrath"},{"full_name":"Zentgraf, Thomas","first_name":"Thomas","last_name":"Zentgraf","orcid":"0000-0002-8662-1101","id":"30525"},{"full_name":"Giessen, H.","first_name":"H.","last_name":"Giessen"}],"type":"journal_article","department":[{"_id":"15"},{"_id":"230"}],"date_created":"2018-03-23T13:04:28Z","issue":"20","publication":"Physical Review B","citation":{"ama":"Meyrath TP, Zentgraf T, Giessen H. Lorentz model for metamaterials: Optical frequency resonance circuits. <i>Physical Review B</i>. 2007;75(20). doi:<a href=\"https://doi.org/10.1103/physrevb.75.205102\">10.1103/physrevb.75.205102</a>","bibtex":"@article{Meyrath_Zentgraf_Giessen_2007, title={Lorentz model for metamaterials: Optical frequency resonance circuits}, volume={75}, DOI={<a href=\"https://doi.org/10.1103/physrevb.75.205102\">10.1103/physrevb.75.205102</a>}, number={20}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Meyrath, T. P. and Zentgraf, Thomas and Giessen, H.}, year={2007} }","mla":"Meyrath, T. P., et al. “Lorentz Model for Metamaterials: Optical Frequency Resonance Circuits.” <i>Physical Review B</i>, vol. 75, no. 20, American Physical Society (APS), 2007, doi:<a href=\"https://doi.org/10.1103/physrevb.75.205102\">10.1103/physrevb.75.205102</a>.","short":"T.P. Meyrath, T. Zentgraf, H. Giessen, Physical Review B 75 (2007).","chicago":"Meyrath, T. P., Thomas Zentgraf, and H. Giessen. “Lorentz Model for Metamaterials: Optical Frequency Resonance Circuits.” <i>Physical Review B</i> 75, no. 20 (2007). <a href=\"https://doi.org/10.1103/physrevb.75.205102\">https://doi.org/10.1103/physrevb.75.205102</a>.","apa":"Meyrath, T. P., Zentgraf, T., &#38; Giessen, H. (2007). Lorentz model for metamaterials: Optical frequency resonance circuits. <i>Physical Review B</i>, <i>75</i>(20). <a href=\"https://doi.org/10.1103/physrevb.75.205102\">https://doi.org/10.1103/physrevb.75.205102</a>","ieee":"T. P. Meyrath, T. Zentgraf, and H. Giessen, “Lorentz model for metamaterials: Optical frequency resonance circuits,” <i>Physical Review B</i>, vol. 75, no. 20, 2007."}},{"date_created":"2018-03-23T13:05:10Z","department":[{"_id":"15"},{"_id":"230"}],"type":"journal_article","citation":{"bibtex":"@article{Zentgraf_Huber_Nielsen_Chemla_Kaindl_2007, title={Ultrabroadband 50-130 THz pulses generated via phase-matched difference frequency mixing in LiIO_3}, volume={15}, DOI={<a href=\"https://doi.org/10.1364/oe.15.005775\">10.1364/oe.15.005775</a>}, number={95775}, journal={Optics Express}, publisher={The Optical Society}, author={Zentgraf, Thomas and Huber, Rupert and Nielsen, Nils C. and Chemla, Daniel S. and Kaindl, Robert A.}, year={2007} }","short":"T. Zentgraf, R. Huber, N.C. Nielsen, D.S. Chemla, R.A. Kaindl, Optics Express 15 (2007).","ama":"Zentgraf T, Huber R, Nielsen NC, Chemla DS, Kaindl RA. 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