@articleMietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011, title=Band offsets in cubic GaN/AlN superlattices, volume=83, DOI=10.1103/physrevb.83.195301, number=19, journal=Physical Review B, author=Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef, year=2011 
LibreCat: /record/13568
DOI: 10.1103/physrevb.83.195301

@articleFavero_Ferraz_Schmidt_Miotto_2011, title=Driving forces for the adsorption of cyclopentene on InP(001), volume=605, DOI=10.1016/j.susc.2011.01.027, journal=Surface Science, author=Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R., year=2011, pages=824–830 
LibreCat: /record/13569
DOI: 10.1016/j.susc.2011.01.027

@articleMüllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011, title=Asymmetric saddling of single porphyrin molecules on Au(111), volume=83, DOI=10.1103/physrevb.83.165416, number=16, journal=Physical Review B, author=Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R., year=2011 
LibreCat: /record/13570
DOI: 10.1103/physrevb.83.165416

@articleThierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title=Methane adsorption on graphene from first principles including dispersion interaction, volume=605, DOI=10.1016/j.susc.2011.01.012, journal=Surface Science, author=Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2011, pages=746–749 
LibreCat: /record/13571
DOI: 10.1016/j.susc.2011.01.012

@articleSanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title=Vibrational properties of the LiNbO3 z-surfaces, volume=58, DOI=10.1109/tuffc.2011.2012, number=9, journal=IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, author=Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero, year=2011, pages=1751–1756 
LibreCat: /record/13823
DOI: 10.1109/tuffc.2011.2012

@articleZirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2011, title=Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon, volume=84, DOI=10.1103/physrevb.84.064126, number=6, journal=Physical Review B, author=Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E., year=2011 
LibreCat: /record/13824
DOI: 10.1103/physrevb.84.064126

@articleSanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title=Barium titanate ground- and excited-state properties from first-principles calculations, volume=83, DOI=10.1103/physrevb.83.054112, number=5, journal=Physical Review B, author=Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero, year=2011 
LibreCat: /record/13825
DOI: 10.1103/physrevb.83.054112

@articleSanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title=Localised Phonon Modes at LiNbO3(0001) Surfaces, volume=419, DOI=10.1080/00150193.2011.594396, number=1, journal=Ferroelectrics, publisher=Informa UK Limited, author=Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, Wolf Gero, year=2011, pages=1–8 
LibreCat: /record/4543
DOI: 10.1080/00150193.2011.594396

@articleThierfelder_Sanna_Schindlmayr_Schmidt_2010, title=Do we know the band gap of lithium niobate?, volume=7, DOI=10.1002/pssc.200982473, number=2, journal=Physica Status Solidi C, publisher=Wiley-VCH, author=Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero, year=2010, pages=362–365 
LibreCat: /record/13573
DOI: 10.1002/pssc.200982473
WoS: 000284313000057

@articleGerstmann_Rohrmüller_Mauri_Schmidt_2010, title=Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces, volume=7, DOI=10.1002/pssc.200982462, number=2, journal=physica status solidi (c), author=Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero, year=2010, pages=157–160 
LibreCat: /record/13574
DOI: 10.1002/pssc.200982462

@articleWippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title=Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles, volume=7, DOI=10.1002/pssc.200982413, number=2, journal=physica status solidi (c), author=Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F., year=2010, pages=133–136 
LibreCat: /record/13581
DOI: 10.1002/pssc.200982413

@articleBihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title=Manganese-hydrogen complexes inGxMnxN, volume=80, DOI=10.1103/physrevb.80.205205, number=20, journal=Physical Review B, author=Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S., year=2010 
LibreCat: /record/13656
DOI: 10.1103/physrevb.80.205205

@articleBlankenburg_Rauls_Schmidt_2010, title=Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization, volume=1, DOI=10.1021/jz101389u, journal=The Journal of Physical Chemistry Letters, author=Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2010, pages=3266–3270 
LibreCat: /record/13826
DOI: 10.1021/jz101389u

@articleWippermann_Schmidt_2010, title=Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array, volume=105, DOI=10.1103/physrevlett.105.126102, number=12, journal=Physical Review Letters, author=Wippermann, S. and Schmidt, Wolf Gero, year=2010 
LibreCat: /record/13827
DOI: 10.1103/physrevlett.105.126102

@articleZirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2010, title=Defects in carbon implanted silicon calculated by classical potentials and first-principles methods, volume=82, DOI=10.1103/physrevb.82.094110, number=9, journal=Physical Review B, author=Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E., year=2010 
LibreCat: /record/13828
DOI: 10.1103/physrevb.82.094110

@articleKrivosheeva_Sanna_Schmidt_2010, title=First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2), volume=49, DOI=10.1016/j.commatsci.2010.06.043, number=4, journal=Computational Materials Science, author=Krivosheeva, A.V. and Sanna, S. and Schmidt, Wolf Gero, year=2010, pages=895–898 
LibreCat: /record/13829
DOI: 10.1016/j.commatsci.2010.06.043

@articleRauls_Wiebe_Schmidt_2010, title=Understanding the cubic AlN growth plane from first principles, volume=312, DOI=10.1016/j.jcrysgro.2010.07.027, journal=Journal of Crystal Growth, author=Rauls, E. and Wiebe, J. and Schmidt, Wolf Gero, year=2010, pages=2892–2895 
LibreCat: /record/13830
DOI: 10.1016/j.jcrysgro.2010.07.027

@articleSpeiser_Chandola_Hinrichs_Gensch_Cobet_Wippermann_Schmidt_Bechstedt_Richter_Fleischer_et al._2010, title=Metal-insulator transition in Si(111)-(4×1)/(8×2)-In studied by optical spectroscopy, volume=247, DOI=10.1002/pssb.200983961, number=8, journal=physica status solidi (b), author=Speiser, E. and Chandola, S. and Hinrichs, K. and Gensch, M. and Cobet, C. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Richter, W. and Fleischer, K. and et al., year=2010, pages=2033–2039 
LibreCat: /record/13831
DOI: 10.1002/pssb.200983961

@articleThierfelder_Schmidt_2010, title=First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111), volume=82, DOI=10.1103/physrevb.82.115402, number=11, journal=Physical Review B, author=Thierfelder, C. and Schmidt, Wolf Gero, year=2010 
LibreCat: /record/13832
DOI: 10.1103/physrevb.82.115402

@articleSanna_Schmidt_2010, title=Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory, volume=81, DOI=10.1103/physrevb.81.214116, number=21, journal=Physical Review B, author=Sanna, Simone and Schmidt, Wolf Gero, year=2010 
LibreCat: /record/13833
DOI: 10.1103/physrevb.81.214116

@articleSanna_Schmidt_2010, title=GaN/LiNbO3 (0001) interface formation calculated from first-principles, volume=256, DOI=10.1016/j.apsusc.2010.03.098, journal=Applied Surface Science, author=Sanna, Simone and Schmidt, Wolf Gero, year=2010, pages=5740–5743 
LibreCat: /record/13834
DOI: 10.1016/j.apsusc.2010.03.098

@articleScholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et al._2010, title=Magnetic characterization of conductance electrons in GaN, volume=247, DOI=10.1002/pssb.200983582, number=7, journal=physica status solidi (b), author=Scholle, A. and Greulich-Weber, S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al., year=2010, pages=1728–1731 
LibreCat: /record/13835
DOI: 10.1002/pssb.200983582

@articleRauls_Blankenburg_Schmidt_2010, title=Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111), volume=81, DOI=10.1103/physrevb.81.125401, number=12, journal=Physical Review B, author=Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero, year=2010 
LibreCat: /record/13836
DOI: 10.1103/physrevb.81.125401

@articleScholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title=Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC, volume=645–648, DOI=10.4028/www.scientific.net/msf.645-648.403, journal=Materials Science Forum, author=Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe, year=2010, pages=403–406 
LibreCat: /record/13837
DOI: 10.4028/www.scientific.net/msf.645-648.403

@articleSanna_Schmidt_2010, title=GaN growth on LiNbO3 (0001) - a first-principles simulation, volume=7, DOI=10.1002/pssc.200983649, number=7–8, journal=physica status solidi (c), author=Sanna, Simone and Schmidt, Wolf Gero, year=2010, pages=2272–2274 
LibreCat: /record/13838
DOI: 10.1002/pssc.200983649

@articleBlankenburg_Schmidt_2010, title=Temperature dependent stability of self-assembled molecular rows, volume=7, DOI=10.1002/pssc.200982460, number=2, journal=physica status solidi (c), author=Blankenburg, S. and Schmidt, Wolf Gero, year=2010, pages=415–417 
LibreCat: /record/13839
DOI: 10.1002/pssc.200982460

@articleBlankenburg_Rauls_Schmidt_2010, title=The physics of highly ordered molecular rows, volume=7, DOI=10.1002/pssc.200982459, number=2, journal=physica status solidi (c), author=Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2010, pages=153–156 
LibreCat: /record/13841
DOI: 10.1002/pssc.200982459

@articleSanna_Gavrilenko_Schmidt_2010, title=Ab initio investigation of the LiNbO3(0001) surface, volume=7, DOI=10.1002/pssc.200982456, number=2, journal=physica status solidi (c), author=Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero, year=2010, pages=145–148 
LibreCat: /record/13842
DOI: 10.1002/pssc.200982456

@articleWippermann_Schmidt_Thissen_Grundmeier_2010, title=Dissociative and molecular adsorption of water on;1-Al2O3(0001), volume=7, DOI=10.1002/pssc.200982423, number=2, journal=physica status solidi (c), author=Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, G., year=2010, pages=137–140 
LibreCat: /record/13843
DOI: 10.1002/pssc.200982423

@articleBlankenburg_Rauls_Schmidt_2009, title=The physics of highly ordered molecular rows, DOI=10.1002/pssc.200982459, journal=physica status solidi (c), author=Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2009, pages=153–156 
LibreCat: /record/13576
DOI: 10.1002/pssc.200982459

@articleBlankenburg_Rauls_Schmidt_2009, title=The physics of highly ordered molecular rows, volume=7, DOI=10.1002/pssc.200982459, number=2, journal=physica status solidi (c), author=Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2009, pages=153–156 
LibreCat: /record/13577
DOI: 10.1002/pssc.200982459

@articleSanna_Gavrilenko_Schmidt_2009, title=Ab initioinvestigation of the LiNbO3(0001) surface, DOI=10.1002/pssc.200982456, journal=physica status solidi (c), author=Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero, year=2009, pages=145–148 
LibreCat: /record/13578
DOI: 10.1002/pssc.200982456

@articleSanna_Gavrilenko_Schmidt_2009, title=Ab initioinvestigation of the LiNbO3(0001) surface, volume=7, DOI=10.1002/pssc.200982456, number=2, journal=physica status solidi (c), author=Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero, year=2009, pages=145–148 
LibreCat: /record/13579
DOI: 10.1002/pssc.200982456

@articleWippermann_Schmidt_Thissen_Grundmeier_2009, title=Dissociative and molecular adsorption of water on;1-Al2O3(0001), volume=7, DOI=10.1002/pssc.200982423, number=2, journal=physica status solidi (c), author=Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido, year=2009, pages=137–140 
LibreCat: /record/13580
DOI: 10.1002/pssc.200982423

@articleScholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title=Vacancy clusters created via room temperature irradiation in 6H-SiC, volume=404, DOI=10.1016/j.physb.2009.08.123, journal=Physica B: Condensed Matter, author=Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe, year=2009, pages=4742–4744 
LibreCat: /record/13583
DOI: 10.1016/j.physb.2009.08.123

@articleThissen_Grundmeier_Wippermann_Schmidt_2009, title=Water adsorption on the ;1-Al2O3(0001) surface, volume=80, DOI=10.1103/physrevb.80.245403, number=24, journal=Physical Review B, author=Thissen, P. and Grundmeier, G. and Wippermann, S. and Schmidt, Wolf Gero, year=2009 
LibreCat: /record/13655
DOI: 10.1103/physrevb.80.245403

@articleSanna_Schmidt_Frauenheim_Gerstmann_2009, title=Rare-earth defect pairs in GaN: LDA+U calculations, volume=80, DOI=10.1103/physrevb.80.104120, number=10, journal=Physical Review B, author=Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe, year=2009 
LibreCat: /record/13657
DOI: 10.1103/physrevb.80.104120

@articlePassmann_Favero_Schmidt_Miotto_Braun_Richter_Kneissl_Esser_Vogt_2009, title=Adsorption structure of cyclopentene on InP(001)(2×4), volume=80, DOI=10.1103/physrevb.80.125303, number=12, journal=Physical Review B, author=Passmann, Regina and Favero, Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter, Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick, year=2009 
LibreCat: /record/13658
DOI: 10.1103/physrevb.80.125303

@articleBlankenburg_Rauls_Schmidt_2009, title=Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures, volume=113, DOI=10.1021/jp902337p, journal=The Journal of Physical Chemistry C, author=Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero, year=2009, pages=12653–12657 
LibreCat: /record/13659
DOI: 10.1021/jp902337p

@articleChandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009, title=Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response, volume=102, DOI=10.1103/physrevlett.102.226805, number=22, journal=Physical Review Letters, author=Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F., year=2009 
LibreCat: /record/13660
DOI: 10.1103/physrevlett.102.226805

@articleLandmann_Rauls_Schmidt_2009, title=Chainlike AuO Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles, volume=113, DOI=10.1021/jp810581s, journal=The Journal of Physical Chemistry C, author=Landmann, M. and Rauls, E. and Schmidt, Wolf Gero, year=2009, pages=5690–5699 
LibreCat: /record/13661
DOI: 10.1021/jp810581s

@articleBlankenburg_Schmidt_2009, title=Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions, volume=21, DOI=10.1088/0953-8984/21/18/185001, number=185001, journal=Journal of Physics: Condensed Matter, author=Blankenburg, S and Schmidt, Wolf Gero, year=2009 
LibreCat: /record/13662
DOI: 10.1088/0953-8984/21/18/185001

@articleLange_Posner_Pohl_Thierfelder_Grundmeier_Blankenburg_Schmidt_2009, title=Water adsorption on hydrogenated Si(111) surfaces, volume=603, DOI=10.1016/j.susc.2008.10.030, journal=Surface Science, author=Lange, B. and Posner, R. and Pohl, K. and Thierfelder, C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero, year=2009, pages=60–64 
LibreCat: /record/13664
DOI: 10.1016/j.susc.2008.10.030

@articleLandmann_Rauls_Schmidt_2009, title=First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen, volume=79, DOI=10.1103/physrevb.79.045412, number=4, journal=Physical Review B, author=Landmann, M. and Rauls, E. and Schmidt, Wolf Gero, year=2009 
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

@articleGiannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et al._2009, title=QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, volume=21, DOI=10.1088/0953-8984/21/39/395502, number=39395502, journal=Journal of Physics: Condensed Matter, author=Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and et al., year=2009 
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

@articleSavchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title=Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC, volume=615–617, DOI=10.4028/www.scientific.net/msf.615-617.343, journal=Materials Science Forum, author=Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe, year=2009, pages=343–346 
LibreCat: /record/13844
DOI: 10.4028/www.scientific.net/msf.615-617.343

@articleWippermann_Schmidt_2008, title=Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array, volume=603, DOI=10.1016/j.susc.2008.11.013, journal=Surface Science, author=Wippermann, S. and Schmidt, Wolf Gero, year=2008, pages=247–250 
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

@articleWippermann_Schmidt_2008, title=Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles, volume=78, DOI=10.1103/physrevb.78.235439, number=23, journal=Physical Review B, author=Wippermann, S. and Schmidt, Wolf Gero, year=2008 
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

@articleBlankenburg_Schmidt_2008, title=Spatial modulation of molecular adsorption energies due to indirect interaction, volume=78, DOI=10.1103/physrevb.78.233411, journal=Physical Review B, author=Blankenburg, S. and Schmidt, Wolf Gero, year=2008 
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

@articleRauls_Schmidt_2008, title=Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110), volume=112, DOI=10.1021/jp8037297, journal=Journal of Physical Chemistry C, author=Rauls, E. and Schmidt, Wolf Gero, year=2008, pages=11490–11494 
LibreCat: /record/13668
DOI: 10.1021/jp8037297

@articleRauls_Dijkstra_Schmidt_2008, title=Atomic structure and energetics of thec-GaN(001) surface, volume=78, DOI=10.1103/physrevb.78.113302, number=11, journal=Physical Review B, author=Rauls, E. and Dijkstra, S. J. and Schmidt, Wolf Gero, year=2008 
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

@articleRauls_Blankenburg_Schmidt_2008, title=DFT calculations of adenine adsorption on coin metal (110) surfaces, volume=602, DOI=10.1016/j.susc.2008.04.029, journal=Surface Science, author=Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero, year=2008, pages=2170–2174 
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

@articleHermann_Schmidt_Schwerdtfeger_2008, title=Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects, volume=100, DOI=10.1103/physrevlett.100.207403, number=20, journal=Physical Review Letters, author=Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P., year=2008 
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

@articleHermann_Schwerdtfeger_Schmidt_2008, title=Theoretical study of the localization of excess electrons at the surface of ice, volume=20, DOI=10.1088/0953-8984/20/22/225003, number=225003, journal=Journal of Physics: Condensed Matter, author=Hermann, A and Schwerdtfeger, P and Schmidt, Wolf Gero, year=2008 
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

@articleRakel_Cobet_Esser_Fuchs_Bechstedt_Goldhahn_Schmidt_Schaff_2008, title=GaN and InN conduction-band states studied by ellipsometry, volume=77, DOI=10.1103/physrevb.77.115120, number=11, journal=Physical Review B, author=Rakel, Munise and Cobet, Christoph and Esser, Norbert and Fuchs, Frank and Bechstedt, Friedhelm and Goldhahn, Rüdiger and Schmidt, Wolf Gero and Schaff, William, year=2008 
LibreCat: /record/13673
DOI: 10.1103/physrevb.77.115120

@articleWippermann_Koch_Schmidt_2008, title=Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects, volume=100, DOI=10.1103/physrevlett.100.106802, number=10, journal=Physical Review Letters, author=Wippermann, S. and Koch, N. and Schmidt, Wolf Gero, year=2008 
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

@articleLange_Schmidt_2008, title=Ammonia adsorption on Cl/Si(001): First-principles calculations, volume=602, DOI=10.1016/j.susc.2008.01.024, journal=Surface Science, author=Lange, B. and Schmidt, Wolf Gero, year=2008, pages=1207–1211 
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

@articleSchmidt_Albrecht_Wippermann_Blankenburg_Rauls_Fuchs_Rödl_Furthmüller_Hermann_2008, title=LiNbO3ground- and excited-state properties from first-principles calculations, volume=77, DOI=10.1103/physrevb.77.035106, journal=Physical Review B, author=Schmidt, Wolf Gero and Albrecht, M. and Wippermann, S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller, J. and Hermann, A., year=2008 
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

@articleGolde_Meier_Koch_2008, title=High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations, volume=77, DOI=10.1103/physrevb.77.075330, number=7075330, journal=Physical Review B, author=Golde, D. and Meier, T. and Koch, S. W., year=2008 
LibreCat: /record/23484
DOI: 10.1103/physrevb.77.075330

@articleThierfelder_Schmidt_2007, title=Ethanol adsorbed on ice: A first-principles study, volume=76, DOI=10.1103/physrevb.76.195426, number=19, journal=Physical Review B, author=Thierfelder, C. and Schmidt, Wolf Gero, year=2007 
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

@articleBlankenburg_Schmidt_2007, title=Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer, volume=99, DOI=10.1103/physrevlett.99.196107, number=19, journal=Physical Review Letters, author=Blankenburg, S. and Schmidt, Wolf Gero, year=2007 
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

@articleBlankenburg_Schmidt_2007, title=Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110), volume=18, DOI=10.1088/0957-4484/18/42/424030, number=424030, journal=Nanotechnology, author=Blankenburg, S and Schmidt, Wolf Gero, year=2007 
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

@articleWippermann_Schmidt_Calzolari_Nardelli_Stekolnikov_Seino_Bechstedt_2007, title=Quantum conductance of In nanowires on Si(111) from first principles calculations, DOI=10.1016/j.susc.2007.04.053, journal=Surface Science, author=Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno and Stekolnikov, A.A. and Seino, K. and Bechstedt, F., year=2007, pages=4045–4047 
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

@articleBernholc_Lu_Nakhmanson_Hahn_Meunier_Buongiorno Nardelli_Schmidt_2007, title=Atomic scale design of nanostructures, DOI=10.1080/00268970701189186, journal=Molecular Physics, author=Bernholc, J. and Lu, W. and Nakhmanson, S. M. and Hahn, P.H. and Meunier, V. and Buongiorno Nardelli, M. and Schmidt, Wolf Gero, year=2007, pages=147–156 
LibreCat: /record/13682
DOI: 10.1080/00268970701189186

@articleStekolnikov_Seino_Bechstedt_Wippermann_Schmidt_Calzolari_Nardelli_2007, title=Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance, volume=98, DOI=10.1103/physrevlett.98.026105, number=2, journal=Physical Review Letters, author=Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno, year=2007 
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

@articleLetzig_Willig_Hahn_Schmidt_2006, title=Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface, volume=74, DOI=10.1103/physrevb.74.245307, number=24, journal=Physical Review B, author=Letzig, T. and Willig, F. and Hahn, P. H. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

@articlePreuss_Bechstedt_Schmidt_Sochos_Schröter_Richter_2006, title=Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS, volume=74, DOI=10.1103/physrevb.74.235406, number=23, journal=Physical Review B, author=Preuss, M. and Bechstedt, F. and Schmidt, Wolf Gero and Sochos, J. and Schröter, B. and Richter, W., year=2006 
LibreCat: /record/13685
DOI: 10.1103/physrevb.74.235406

@articleSchmidt_Seino_Preuss_Hermann_Ortmann_Bechstedt_2006, title=Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction, volume=85, DOI=10.1007/s00339-006-3691-0, journal=Applied Physics A, author=Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Hermann, A. and Ortmann, F. and Bechstedt, F., year=2006, pages=387–397 
LibreCat: /record/13686
DOI: 10.1007/s00339-006-3691-0

@articleBlankenburg_Schmidt_2006, title=Adsorption of phenylglycine on copper: Density functional calculations, volume=74, DOI=10.1103/physrevb.74.155419, number=15, journal=Physical Review B, author=Blankenburg, S. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

@articlePreuss_Miotto_Bechstedt_Rada_Richardson_Schmidt_2006, title=Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS, volume=74, DOI=10.1103/physrevb.74.115402, number=11, journal=Physical Review B, author=Preuss, M. and Miotto, R. and Bechstedt, F. and Rada, T. and Richardson, N. V. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13689
DOI: 10.1103/physrevb.74.115402

@articleThierfelder_Hermann_Schwerdtfeger_Schmidt_2006, title=Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations, volume=74, DOI=10.1103/physrevb.74.045422, number=4, journal=Physical Review B, author=Thierfelder, C. and Hermann, A. and Schwerdtfeger, P. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

@articleBiering_Hermann_Schmidt_2006, title=Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions, volume=73, DOI=10.1103/physrevb.73.235429, number=23, journal=Physical Review B, author=Biering, S. and Hermann, A. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

@articleSchmidt_Hermann_Fuchs_Bechstedt_2006, title=Si(001) surface optical anisotropies induced by <0-conjugated overlayers and oxidation, volume=6, DOI=10.1016/j.cap.2005.11.069, journal=Current Applied Physics, author=Schmidt, Wolf Gero and Hermann, A. and Fuchs, F. and Bechstedt, F., year=2006, pages=525–530 
LibreCat: /record/13692
DOI: 10.1016/j.cap.2005.11.069

@articleSchmidt_Seino_2006, title=Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping, volume=6, DOI=10.1016/j.cap.2005.11.012, journal=Current Applied Physics, author=Schmidt, Wolf Gero and Seino, K., year=2006, pages=331–333 
LibreCat: /record/13693
DOI: 10.1016/j.cap.2005.11.012

@articleSeino_Schmidt_Ohtake_2006, title=Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions, volume=73, DOI=10.1103/physrevb.73.035317, number=3, journal=Physical Review B, author=Seino, K. and Schmidt, Wolf Gero and Ohtake, A., year=2006 
LibreCat: /record/13694
DOI: 10.1103/physrevb.73.035317

@articleHahn_Schmidt_Bechstedt_2006, title=Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics, volume=72, DOI=10.1103/physrevb.72.245425, number=24, journal=Physical Review B, author=Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F., year=2006 
LibreCat: /record/13695
DOI: 10.1103/physrevb.72.245425

@articleOrtmann_Bechstedt_Schmidt_2006, title=Semiempirical van der Waals correction to the density functional description of solids and molecular structures, volume=73, DOI=10.1103/physrevb.73.205101, number=20, journal=Physical Review B, author=Ortmann, F. and Bechstedt, F. and Schmidt, Wolf Gero, year=2006 
LibreCat: /record/13845
DOI: 10.1103/physrevb.73.205101

@articleBechstedt_Seino_Hahn_Schmidt_2005, title=Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl, volume=72, DOI=10.1103/physrevb.72.245114, number=24, journal=Physical Review B, author=Bechstedt, F. and Seino, K. and Hahn, P. H. and Schmidt, Wolf Gero, year=2005 
LibreCat: /record/13696
DOI: 10.1103/physrevb.72.245114

@articleOrtmann_Schmidt_Bechstedt_2005, title=Attracted by Long-Range Electron Correlation: Adenine on Graphite, volume=95, DOI=10.1103/physrevlett.95.186101, number=18, journal=Physical Review Letters, author=Ortmann, F. and Schmidt, Wolf Gero and Bechstedt, F., year=2005 
LibreCat: /record/13697
DOI: 10.1103/physrevlett.95.186101

@articleSchmidt_2005, title=Calculation of reflectance anisotropy for semiconductor surface exploration, volume=242, DOI=10.1002/pssb.200541112, number=13, journal=physica status solidi (b), author=Schmidt, Wolf Gero, year=2005, pages=2751–2764 
LibreCat: /record/13698
DOI: 10.1002/pssb.200541112

@articleHahn_Seino_Schmidt_Furthmüller_Bechstedt_2005, title=Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN, volume=242, DOI=10.1002/pssb.200541128, number=13, journal=physica status solidi (b), author=Hahn, P. H. and Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F., year=2005, pages=2720–2728 
LibreCat: /record/13699
DOI: 10.1002/pssb.200541128

@articleEsser_Rakel_Cobet_Schmidt_Braun_Cardona_2005, title=VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations, volume=242, DOI=10.1002/pssb.200541315, number=13, journal=physica status solidi (b), author=Esser, N. and Rakel, M. and Cobet, C. and Schmidt, Wolf Gero and Braun, W. and Cardona, M., year=2005, pages=2601–2609 
LibreCat: /record/13700
DOI: 10.1002/pssb.200541315

@articleFuchs_Schmidt_Bechstedt_2005, title=Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations, volume=109, DOI=10.1021/jp0501087, journal=The Journal of Physical Chemistry B, author=Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F., year=2005, pages=17649–17653 
LibreCat: /record/13701
DOI: 10.1021/jp0501087

@articleFuchs_Schmidt_Bechstedt_2005, title=Understanding the optical anisotropy of oxidized Si(001) surfaces, volume=72, DOI=10.1103/physrevb.72.075353, number=7, journal=Physical Review B, author=Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F., year=2005 
LibreCat: /record/13702
DOI: 10.1103/physrevb.72.075353

@articlePreuss_Schmidt_Bechstedt_2005, title=Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110), volume=94, DOI=10.1103/physrevlett.94.236102, journal=Physical Review Letters, author=Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F., year=2005 
LibreCat: /record/13703
DOI: 10.1103/physrevlett.94.236102

@articleSeino_Schmidt_2005, title=Conformation-selective adsorption of 2,3-butanediol on Si(001), DOI=10.1016/j.susc.2005.04.029, journal=Surface Science, author=Seino, K. and Schmidt, Wolf Gero, year=2005, pages=191–196 
LibreCat: /record/13704
DOI: 10.1016/j.susc.2005.04.029

@articleLeitsmann_Schmidt_Hahn_Bechstedt_2005, title=Second-harmonic polarizability including electron-hole attraction from band-structure theory, volume=71, DOI=10.1103/physrevb.71.195209, journal=Physical Review B, author=Leitsmann, R. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F., year=2005 
LibreCat: /record/13705
DOI: 10.1103/physrevb.71.195209

@articleHermann_Schmidt_Bechstedt_2005, title=Optical response of<0-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study, volume=71, DOI=10.1103/physrevb.71.153311, journal=Physical Review B, author=Hermann, A. and Schmidt, Wolf Gero and Bechstedt, F., year=2005 
LibreCat: /record/13706
DOI: 10.1103/physrevb.71.153311

@articleHermann_Schmidt_Bechstedt_2005, title=Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response, volume=109, DOI=10.1021/jp0500182, journal=The Journal of Physical Chemistry B, author=Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm, year=2005, pages=7928–7933 
LibreCat: /record/13707
DOI: 10.1021/jp0500182

@articleHahn_Schmidt_Seino_Preuss_Bechstedt_Bernholc_2005, title=Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding, volume=94, DOI=10.1103/physrevlett.94.037404, journal=Physical Review Letters, author=Hahn, P. H. and Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Bechstedt, F. and Bernholc, J., year=2005, pages=037404 
LibreCat: /record/13709
DOI: 10.1103/physrevlett.94.037404

@articleHahn_Schmidt_Bechstedt_2005, title=Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics, volume=72, DOI=10.1103/physrevb.72.245425, number=24, journal=Physical Review B, author=Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F., year=2005 
LibreCat: /record/13846
DOI: 10.1103/physrevb.72.245425

@articleOhtake_Kocán_Seino_Schmidt_Koguchi_2004, title=Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase, volume=93, DOI=10.1103/physrevlett.93.266101, journal=Physical Review Letters, author=Ohtake, Akihiro and Kocán, Pavel and Seino, Kaori and Schmidt, Wolf Gero and Koguchi, Nobuyuki, year=2004, pages=266101 
LibreCat: /record/13710
DOI: 10.1103/physrevlett.93.266101

@articleSeino_Schmidt_2004, title=O on Si(001): surface optical anisotropy from first-principles calculations, volume=571, DOI=10.1016/j.susc.2004.08.012, number=157, journal=Surface Science, author=Seino, K. and Schmidt, Wolf Gero, year=2004, pages=157–160 
LibreCat: /record/13711
DOI: 10.1016/j.susc.2004.08.012

@articleSchmidt_Fuchs_Hermann_Seino_Bechstedt_Paßmann_Wahl_Gensch_Hinrichs_Esser_et al._2004, title=Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions, volume=16, DOI=10.1088/0953-8984/16/39/007, journal=Journal of Physics: Condensed Matter, author=Schmidt, Wolf Gero and Fuchs, F and Hermann, A and Seino, K and Bechstedt, F and Paßmann, R and Wahl, M and Gensch, M and Hinrichs, K and Esser, N and et al., year=2004, pages=23–34 
LibreCat: /record/13712
DOI: 10.1088/0953-8984/16/39/007

@articlePalummo_Pulci_Sole_Marini_Hahn_Schmidt_Bechstedt_2004, title=The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra, volume=16, DOI=10.1088/0953-8984/16/39/006, journal=Journal of Physics: Condensed Matter, author=Palummo, M and Pulci, O and Sole, R Del and Marini, A and Hahn, P and Schmidt, Wolf Gero and Bechstedt, F, year=2004, pages=13–22 
LibreCat: /record/13713
DOI: 10.1088/0953-8984/16/39/006

@articlePreuss_Schmidt_Seino_Bechstedt_2004, title=Methylchloride adsorbed on Si(001): an ab initio study, volume=234, DOI=10.1016/j.apsusc.2004.05.041, journal=Applied Surface Science, author=Preuss, M and Schmidt, Wolf Gero and Seino, K and Bechstedt, F, year=2004, pages=155–161 
LibreCat: /record/13715
DOI: 10.1016/j.apsusc.2004.05.041

@articleFleischer_Chandola_Esser_Richter_McGilp_Schmidt_Wang_Lu_Bernholc_2004, title=Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy, volume=234, DOI=10.1016/j.apsusc.2004.05.114, journal=Applied Surface Science, author=Fleischer, K and Chandola, S and Esser, N and Richter, W and McGilp, J.F and Schmidt, Wolf Gero and Wang, S and Lu, W and Bernholc, J, year=2004, pages=302–306 
LibreCat: /record/13716
DOI: 10.1016/j.apsusc.2004.05.114

@articleSeino_Schmidt_Bechstedt_2004, title=Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection, volume=93, DOI=10.1103/physrevlett.93.036101, number=3, journal=Physical Review Letters, author=Seino, K. and Schmidt, Wolf Gero and Bechstedt, F., year=2004 
LibreCat: /record/13717
DOI: 10.1103/physrevlett.93.036101

@articlePreuss_Schmidt_Bechstedt_2004, title=Methyl Chloride Adsorption on Si(001)Electronic Structure, volume=108, DOI=10.1021/jp049661z, journal=The Journal of Physical Chemistry B, author=Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F., year=2004, pages=7809–7813 
LibreCat: /record/13718
DOI: 10.1021/jp049661z

@articleSeino_Schmidt_Bechstedt_2004, title=Organic modification of surface electronic properties:A first-principles study of uracil on Si(001), volume=69, DOI=10.1103/physrevb.69.245309, journal=Physical Review B, author=Seino, K. and Schmidt, Wolf Gero and Bechstedt, F., year=2004, pages=245309 
LibreCat: /record/13719
DOI: 10.1103/physrevb.69.245309