@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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) 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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) 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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 

@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