@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

@articleSchmidt_Seino_Hahn_Bechstedt_Lu_Wang_Bernholc_2004, title=Calculation of surface optical properties: from qualitative understanding to quantitative predictions, volume=455–456, DOI=10.1016/j.tsf.2003.11.263, journal=Thin Solid Films, author=Schmidt, Wolf Gero and Seino, K. and Hahn, P.H. and Bechstedt, F. and Lu, W. and Wang, S. and Bernholc, J., year=2004, pages=764–771 
LibreCat: /record/13720
DOI: 10.1016/j.tsf.2003.11.263

@articleSeino_Schmidt_2004, title=Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions, volume=548, DOI=10.1016/j.susc.2003.11.002, journal=Surface Science, author=Seino, K. and Schmidt, Wolf Gero, year=2004, pages=183–186 
LibreCat: /record/13721
DOI: 10.1016/j.susc.2003.11.002

@articlePreuss_Schmidt_Seino_Furthmüller_Bechstedt_2004, title=Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials, volume=25, DOI=10.1002/jcc.10372, number=1, journal=Journal of Computational Chemistry, author=Preuss, M. and Schmidt, Wolf Gero and Seino, K. and Furthmüller, J. and Bechstedt, F., year=2004, pages=112–122 
LibreCat: /record/13722
DOI: 10.1002/jcc.10372

@articleBechstedt_Del Sole_Glutsch_Hahn_Pulci_Schmidt_2003, title=Many-body and overlayer effects on surface optical properties, volume=240, DOI=10.1002/pssb.200303827, number=3, journal=physica status solidi (b), author=Bechstedt, F. and Del Sole, R. and Glutsch, S. and Hahn, P. H. and Pulci, O. and Schmidt, Wolf Gero, year=2003, pages=469–479 
LibreCat: /record/13723
DOI: 10.1002/pssb.200303827

@articlePristovsek_Tsukamoto_Ohtake_Koguchi_Orr_Schmidt_Bernholc_2003, title=Gallium-rich reconstructions on GaAs(001), volume=240, DOI=10.1002/pssb.200301885, number=1, journal=physica status solidi (b), author=Pristovsek, M. and Tsukamoto, S. and Ohtake, A. and Koguchi, N. and Orr, B. G. and Schmidt, Wolf Gero and Bernholc, J., year=2003, pages=91–98 
LibreCat: /record/13724
DOI: 10.1002/pssb.200301885

@articleLu_Schmidt_Bernholc_2003, title=Cycloaddition reaction versus dimer cleavage at theSi(001):interface, volume=68, DOI=10.1103/physrevb.68.115327, journal=Physical Review B, author=Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J., year=2003, pages=115327 
LibreCat: /record/13725
DOI: 10.1103/physrevb.68.115327

@articleCastillo_Mendoza_Schmidt_Hahn_Bechstedt_2003, title=Layer-by-layer analysis of surface reflectance anisotropy in semiconductors, volume=68, DOI=10.1103/physrevb.68.041310, journal=Physical Review B, author=Castillo, C. and Mendoza, Bernardo S. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F., year=2003, pages=041310(R) 
LibreCat: /record/13726
DOI: 10.1103/physrevb.68.041310

@articleWang_Lu_Schmidt_Bernholc_2003, title=Nanowire-induced optical anisotropy of the Si(111)-In surface, volume=68, DOI=10.1103/physrevb.68.035329, journal=Physical Review B, author=Wang, Shuchun and Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J., year=2003, pages=035329 
LibreCat: /record/13727
DOI: 10.1103/physrevb.68.035329

@articleHahn_Schmidt_Bechstedt_Pulci_Del Sole_2003, title=P-richGaP(001)(2×1)/(2×2)surface:  A hydrogen-adsorbate structure determined from first-principles calculations, volume=68, DOI=10.1103/physrevb.68.033311, journal=Physical Review B, author=Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F. and Pulci, O. and Del Sole, R., year=2003, pages=033311 
LibreCat: /record/13728
DOI: 10.1103/physrevb.68.033311

@articleSchmidt_Seino_2003, title=Pyrrole (NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles, volume=10, DOI=10.1142/s0218625x03004901, number=2–3, journal=Surface Review and Letters, author=Schmidt, Wolf Gero and Seino, K., year=2003, pages=221–226 
LibreCat: /record/13729
DOI: 10.1142/s0218625x03004901

@articleHahn_Schmidt_2003, title=Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation, volume=10, DOI=10.1142/s0218625x03004913, number=2–3, journal=Surface Review and Letters, author=Hahn, P. H. and Schmidt, Wolf Gero, year=2003, pages=163–167 
LibreCat: /record/13730
DOI: 10.1142/s0218625x03004913

@articleSeino_Schmidt_Preuss_Bechstedt_2003, title=Uracil Adsorbed on Si(001):  Structure and Energetics, volume=107, DOI=10.1021/jp0342531, journal=The Journal of Physical Chemistry B, author=Seino, K. and Schmidt, Wolf Gero and Preuss, M. and Bechstedt, F., year=2003, pages=5031–5035 
LibreCat: /record/13732
DOI: 10.1021/jp0342531

@articleSchmidt_Hahn_Bechstedt_Esser_Vogt_Wange_Richter_2003, title=InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure, volume=90, DOI=10.1103/physrevlett.90.126101, number=12, journal=Physical Review Letters, author=Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F. and Esser, N. and Vogt, P. and Wange, A. and Richter, W., year=2003, pages=126101 
LibreCat: /record/13733
DOI: 10.1103/physrevlett.90.126101

@articleSchmidt_Glutsch_Hahn_Bechstedt_2003, title=EfficientO(N2)method to solve the Bethe-Salpeter equation, volume=67, DOI=10.1103/physrevb.67.085307, journal=Physical Review B, author=Schmidt, Wolf Gero and Glutsch, S. and Hahn, P. H. and Bechstedt, F., year=2003, pages=085307 
LibreCat: /record/13734
DOI: 10.1103/physrevb.67.085307

@articleSeino_Schmidt_Furthmüller_Bechstedt_2003, title=Chemisorption of pyrrole and polypyrrole on Si(001), volume=66, DOI=10.1103/physrevb.66.235323, journal=Physical Review B, author=Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F., year=2003, pages=235323 
LibreCat: /record/13735
DOI: 10.1103/physrevb.66.235323

@articleSchmidt_Bechstedt_Lu_Bernholc_2002, title=Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001), volume=66, DOI=10.1103/physrevb.66.085334, journal=Physical Review B, author=Schmidt, Wolf Gero and Bechstedt, F. and Lu, W. and Bernholc, J., year=2002, pages=0855334 
LibreCat: /record/13736
DOI: 10.1103/physrevb.66.085334

@articleSeino_Schmidt_Bechstedt_Bernholc_2002, title=Structure and energetics of Ga-rich GaAs() surfaces, volume=507–510, DOI=10.1016/s0039-6028(02)01278-5, journal=Surface Science, author=Seino, K. and Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J., year=2002, pages=406–410 
LibreCat: /record/13737
DOI: 10.1016/s0039-6028(02)01278-5

@articleSchmidt_Bechstedt_Bernholc_2002, title=GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties, volume=190, DOI=10.1016/s0169-4332(01)00862-5, journal=Applied Surface Science, author=Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J., year=2002, pages=264–268 
LibreCat: /record/13738
DOI: 10.1016/s0169-4332(01)00862-5

@articleSchmidt_2002, title=III-V compound semiconductor (001) surfaces, volume=75, DOI=10.1007/s003390101058, journal=Applied Physics A: Materials Science &; Processing, author=Schmidt, Wolf Gero, year=2002, pages=89–99 
LibreCat: /record/13739
DOI: 10.1007/s003390101058

@articleHahn_Schmidt_Bechstedt_2002, title=Bulk Excitonic Effects in Surface Optical Spectra, volume=88, DOI=10.1103/physrevlett.88.016402, number=1, journal=Physical Review Letters, author=Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F., year=2002 
LibreCat: /record/13740
DOI: 10.1103/physrevlett.88.016402

@articleSchmidt_Bechstedt_Fleischer_Cobet_Esser_Richter_Bernholc_Onida_2002, title=GaAs(001): Surface Structure and Optical Properties, volume=188, DOI=10.1002/1521-396x(200112)188:4&#60;1401::aid-pssa1401&#62;3.0.co;2-1, number=4, journal=physica status solidi (a), author=Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and Cobet, C. and Esser, N. and Richter, W. and Bernholc, J. and Onida, G., year=2002, pages=1401–1409 
LibreCat: /record/13741
DOI: 10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1

@articleBechstedt_Schmidt_Hahn_2002, title=Towards a Complete Many-Body Description: Optical Response of Real Surfaces, volume=188, DOI=10.1002/1521-396x(200112)188:4&#60;1383::aid-pssa1383&#62;3.0.co;2-g, number=4, journal=physica status solidi (a), author=Bechstedt, F. and Schmidt, Wolf Gero and Hahn, P.H., year=2002, pages=1383–1392 
LibreCat: /record/13742
DOI: 10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g

@articleOnida_Schmidt_Pulci_Palummo_Marini_Hogan_Del Sole_2002, title=Theory for Modeling the Optical Properties of Surfaces, volume=188, DOI=10.1002/1521-396x(200112)188:4&#60;1233::aid-pssa1233&#62;3.0.co;2-w, number=4, journal=physica status solidi (a), author=Onida, G. and Schmidt, Wolf Gero and Pulci, O. and Palummo, M. and Marini, A. and Hogan, C. and Del Sole, R., year=2002, pages=1233–1242 
LibreCat: /record/13745
DOI: 10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w

@articlePaget_Garreau_Sauvage_Chiaradia_Pinchaux_Schmidt_2002, title=X-ray diffraction analysis of the gallium-rich surface of GaAs(001), volume=64, DOI=10.1103/physrevb.64.161305, journal=Physical Review B, author=Paget, D. and Garreau, Y. and Sauvage, M. and Chiaradia, P. and Pinchaux, R. and Schmidt, Wolf Gero, year=2002, pages=161305(R) 
LibreCat: /record/13749
DOI: 10.1103/physrevb.64.161305

@articlePulci_Lüdge_Vogt_Esser_Schmidt_Richter_Bechstedt_2002, title=First-principles study of InP and GaP(001) surfaces, DOI=10.1016/s0927-0256(01)00161-6, journal=Computational Materials Science, author=Pulci, O. and Lüdge, K. and Vogt, P. and Esser, N. and Schmidt, Wolf Gero and Richter, W. and Bechstedt, F., year=2002, pages=32–37 
LibreCat: /record/13750
DOI: 10.1016/s0927-0256(01)00161-6

@articleHingerl_Balderas-Navarro_Bonanni_Tichopadek_Schmidt_2002, title=On the origin of resonance features in reflectance difference data of silicon, volume=175–176, DOI=10.1016/s0169-4332(01)00114-3, journal=Applied Surface Science, author=Hingerl, K and Balderas-Navarro, R.E and Bonanni, A and Tichopadek, P and Schmidt, Wolf, year=2002, pages=769–776 
LibreCat: /record/13752
DOI: 10.1016/s0169-4332(01)00114-3

@articleSchmidt_Bechstedt_Bernholc_2002, title=Terrace and step contributions to the optical anisotropy of Si(001) surfaces, volume=63, DOI=10.1103/physrevb.63.045322, journal=Physical Review B, author=Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J., year=2002, pages=045322 
LibreCat: /record/13754
DOI: 10.1103/physrevb.63.045322

@articleLu_Schmidt_Briggs_Bernholc_2002, title=Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model, volume=85, DOI=10.1103/physrevlett.85.4381, number=20, journal=Physical Review Letters, author=Lu, Wenchang and Schmidt, Wolf Gero and Briggs, E. L. and Bernholc, J., year=2002, pages=4381–4384 
LibreCat: /record/13755
DOI: 10.1103/physrevlett.85.4381

@articleEsser_Schmidt_Cobet_Fleischer_Shkrebtii_Fimland_Richter_2001, title=Atomic structure and optical anisotropy of III–V(001) surfaces, volume=19, DOI=10.1116/1.1394730, number=51756, journal=Journal of Vacuum Science &; Technology B: Microelectronics and Nanometer Structures, author=Esser, N. and Schmidt, Wolf Gero and Cobet, C. and Fleischer, K. and Shkrebtii, A. I. and Fimland, B. O. and Richter, W., year=2001 
LibreCat: /record/13751
DOI: 10.1116/1.1394730

@articlePulci_Schmidt_Bechstedt_2001, title=Structure and Energetics of P-rich GaP(001) Surfaces, volume=184, DOI=10.1002/1521-396x(200103)184:1&#60;105::aid-pssa105&#62;3.0.co;2-d, number=1, journal=physica status solidi (a), author=Pulci, O. and Schmidt, Wolf Gero and Bechstedt, F., year=2001, pages=105–110 
LibreCat: /record/13753
DOI: 10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d

@articleHingerl_Balderas-Navarro_Bonanni_Tichopadek_Schmidt_2001, title=On the origin of resonance features in reflectance difference data of silicon, volume=175–176, DOI=10.1016/s0169-4332(01)00114-3, journal=Applied Surface Science, author=Hingerl, K and Balderas-Navarro, R.E and Bonanni, A and Tichopadek, P and Schmidt, Wolf Gero, year=2001, pages=769–776 
LibreCat: /record/13847
DOI: 10.1016/s0169-4332(01)00114-3

@articleSchmidt_Bechstedt_Bernholc_2001, title=Terrace and step contributions to the optical anisotropy of Si(001) surfaces, volume=63, DOI=10.1103/physrevb.63.045322, journal=Physical Review B, author=Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J., year=2001 
LibreCat: /record/13849
DOI: 10.1103/physrevb.63.045322

@articlePulci_Lüdge_Schmidt_Bechstedt_2000, title=First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces, volume=464, DOI=10.1016/s0039-6028(00)00729-9, journal=Surface Science, author=Pulci, Olivia and Lüdge, Kathy and Schmidt, Wolf Gero and Bechstedt, F, year=2000, pages=272–282 
LibreCat: /record/13756
DOI: 10.1016/s0039-6028(00)00729-9

@articleSchmidt_Bernholc_Bechstedt_2000, title=(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures, volume=166, DOI=10.1016/s0169-4332(00)00406-2, journal=Applied Surface Science, author=Schmidt, Wolf Gero and Bernholc, J. and Bechstedt, F., year=2000, pages=179–184 
LibreCat: /record/13757
DOI: 10.1016/s0169-4332(00)00406-2

@articleFrisch_Vogt_Visbeck_Hannappel_Willig_Braun_Richter_Bernholc_Schmidt_Esser_2000, title=Angle Resolved Photoemission Spectroscopy of the InP(001) surface, volume=166, DOI=10.1016/s0169-4332(00)00431-1, journal=Applied Surface Science, author=Frisch, A.M. and Vogt, P. and Visbeck, S. and Hannappel, Th. and Willig, F. and Braun, W. and Richter, W. and Bernholc, J. and Schmidt, Wolf Gero and Esser, N., year=2000, pages=224–230 
LibreCat: /record/13758
DOI: 10.1016/s0169-4332(00)00431-1

@articleSchmidt_Mirbt_Bechstedt_2000, title=Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001), volume=62, DOI=10.1103/physrevb.62.8087, number=12, journal=Physical Review B, author=Schmidt, Wolf Gero and Mirbt, S. and Bechstedt, F., year=2000, pages=8087–8091 
LibreCat: /record/13759
DOI: 10.1103/physrevb.62.8087

@articleSchmidt_Esser_Frisch_Vogt_Bernholc_Bechstedt_Zorn_Hannappel_Visbeck_Willig_et al._2000, title=Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4), volume=61, DOI=10.1103/physrevb.61.r16335, journal=Physical Review B, author=Schmidt, Wolf Gero and Esser, N. and Frisch, A. M. and Vogt, P. and Bernholc, J. and Bechstedt, F. and Zorn, M. and Hannappel, Th. and Visbeck, S. and Willig, F. and et al., year=2000, pages=335–338 
LibreCat: /record/13760
DOI: 10.1103/physrevb.61.r16335

@articleSchmidt_Bechstedt_Bernholc_2000, title=Understanding reflectance anisotropy: Surface-state signatures and bulk-related features, volume=18, DOI=10.1116/1.1305289, number=42215, journal=Journal of Vacuum Science &; Technology B: Microelectronics and Nanometer Structures, author=Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J., year=2000 
LibreCat: /record/13761
DOI: 10.1116/1.1305289

@articleSchmidt_Bernholc_2000, title=Step-induced optical anisotropy of Si(111):H surfaces, volume=61, DOI=10.1103/physrevb.61.7604, number=11, journal=Physical Review B, author=Schmidt, Wolf Gero and Bernholc, J., year=2000, pages=7604–7608 
LibreCat: /record/13762
DOI: 10.1103/physrevb.61.7604

@inbookBernholc_Briggs_Bungaro_Buongiorno Nardelli_Fattebert_Rapcewicz_Roland_Schmidt_Zhao_2000, series=217, title=Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport, volume=1, DOI=10.1002/3527603107.ch33, booktitle=Computer Simulation of Materials at Atomic Level, publisher=physica status solidi (b), author=Bernholc, J. and Briggs, E. L. and Bungaro, C. and Buongiorno Nardelli, M. and Fattebert, J. -L. and Rapcewicz, K. and Roland, C. and Schmidt, Wolf Gero and Zhao, Q., year=2000, pages=685–701, collection=217 
LibreCat: /record/13763
DOI: 10.1002/3527603107.ch33