Publications

1988

Journal Article

Máca, F. and M. Scheffler: Surface Green's function for a rumpled crystal surface. Comput. Phys. Commun. 51, 381–390 (1988).

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Meijer, G., M. Ebben and J.J.ter Meulen: High-resolution spectroscopy of highly excited electronic states by pulsed-cw double resonance in a molecular beam. A study of the NO(E-A) system. Chemical Physics 127 (1-3), 173–187 (1988).

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Meijer, G., M. Ebben and J.J.ter Meulen: High-resolution study of the NO E ²Σ⁺ ← A ²Σ⁺ transition by pulsed-cw double resonance. Chemical Physics Letters 147 (6), 525–528 (1988).

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Meijer, G., A.M. Wodtke, H. Voges, H. Schlüter and P. Andresen: State‐selective detection of CO using a tunable ArF excimer laser. The Journal of Chemical Physics 89 (4), 2588–2589 (1988).

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Odörfer, G., E.W. Plummer, H.-J. Freund, H. Kuhlenbeck and M. Neumann: On the electronic structure of the coadsorbate system CO + O (2×1)/Pd(111): A precursor for CO₂ formation. Surface Science 198 (3), 331–359 (1988).

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Said, M., F. Máca, K. Kambe, M. Scheffler and N.E. Christensen: Electronic structure of fcc and bcc close-packed silver surfaces. Physical Review B 38, 8505–8507 (1988).

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Scheffler, M.: Thermodynamic aspects of bulk and surface defects - first-principle calculations. Physics of Solid Surfaces 1987 4, 115–122 (1988).

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Scheffler, M. and J. Dabrowski: Parameter-free calculations of total energies, interatomic forces and vibrational entropies of defects in semiconductors. Philosophical Magazine A 58 (1), 107–121 (1988).

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Weinert, C.M., F. Beeler and M. Scheffler: Total-energy calculation for isolated oxygen impurities in silicon. J. Phys. C 21, 841–846 (1988).

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Wodtke, A.M., L. Huwel, H. Schluter, G. Meijer, P. Andersen and H. Voges: High-sensitivity detection of NO in a flame using a tunable ArF laser. Optics Letters 13 (10), 910–912 (1988).

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Wodtke, A.M., L. Huwel, H. Schlüter, H. Voges, G. Meijer and P. Andresen: Predissociation of O₂ in the B state. The Journal of Chemical Physics 89 (4), 1929–1935 (1988).

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Wolf, M. and K.D. Schotte: Ising model with competing next-nearest-neighbour interactions on the Kagome lattice. Journal of Physics A: Mathematical and General 21 (9), 2195–2209 (1988).

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1987

Journal Article

Bartos, B., H.-J. Freund, H. Kuhlenbeck, M. Neumann, H. Lindner and K. Müller: Adsorption and reaction of CO₂ and CO₂/O CO-adsorption on Ni(110): Angle resolved photoemission (ARUPS) and electron energy loss (HREELS) studies. Surface Science 179 (1), 59–89 (1987).

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Beeler, F., O.K. Andersen and M. Scheffler: Electronic structure calculation of 3d and 4d transition metal point defects in silicon. Proc. 18th Int. Conf. on the Physics of Semiconductors 875–878 (1987).

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Beeler, F., O. Jepsen, O.K. Andersen, O. Gunnarsson and M. Scheffler: Electronic structure calculation of point defects in silicon. Comput. Phys. Comm. 44, 297–305 (1987).

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Behner, H., W. Spiess, G. Wedler, D. Borgmann and H.-J. Freund: Electron energy loss study of the electronically excited states of adsorbed CO₂: Case study CO₂/Fe. Surface Science 184 (3), 335–344 (1987).

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Engel, V., G. Meijer, A. Bath, P. Andresen and R. Schinke: The C̃→Ã emission in water: Theory and experiment. The Journal of Chemical Physics 87 (8), 4310–4314 (1987).

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Freund, H.-J., B. Bartos, R.P. Messmer, H. Grunze, H. Kuhlenbeck and M. Neumann: The adsorption of N₂ on Fe(111): Angle resolved photoemission and theoretical model studies. Surface Science 185 (1-2), 187–202 (1987).

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Freund, H.-J., H. Behner, B. Bartos, G. Wedler, H. Kuhlenbeck and M. Neumann: CO₂ adsorption and reaction on Fe(111): An angle resolved photoemission (ARUPS) study. Surface Science 180 (2-3), 550–564 (1987).

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Freund, H.-J., H. Kossmann and V. Schmidt: Photoionization of inner valence electrons in gaseous NO: a synchrotron radiation study. Chemical Physics Letters 137 (5), 425–430 (1987).

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Freund, H.-J. and C.M. Llegener: Autoionization of CO after C 1s→ Zπ* excitation: a comparison with photoemission and auger decay. Chemical Physics Letters 134 (1), 70–75 (1987).

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Heskett, D., K.-H. Frank, E.E. Koch and H.-J. Freund: Unoccupied electron band structure of Na overlayers on Al(111). Physical Review B 36 (2), 1276–1279 (1987).

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Kuhlenbeck, H., H.B. Saalfeld, M. Neumann, H.-J. Freund and E.W. Plummer: A Direct Observation of the Two-Dimensional π-d Bands for Adsorbed CO. Applied Physics A 44 (1), 83–86 (1987).

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Máca, F. and M. Scheffler: A new version of the program for the calculation of the Green's function for a crystal surface or interface. Comput. Phys. Comm. 47, 349–350 (1987).

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Meijer, G., B. Jansen, J.J.T. Meulen and A. Dymanus: High-resolution spectroscopy on the B²Σ⁺,ν' = 0→X²Π, ν″ =1 transition in SiCl. Chemical Physics Letters 136 (6), 519–526 (1987).

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Meijer, G., W. Ubachs, J.J. Ter and M.A. Dymanus: High-resolution lamb dip spectroscopy on OD and SiCl in a molecular beam. Chemical Physics Letters 139 (6), 603–611 (1987).

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Scheffler, M.: Lattice relaxations at substitutional impurities in semiconductors. Physica B/C 146, 176–186 (1987).

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Scheffler, M., F. Beeler, O.K. Andersen, O. Gunnarsson and O. Jepsen: Parameter-free total-energy and force calculations for defects in semiconductors. Proc. 7th Int. School Defects in Crystals 3–22 (1987).

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Sjögren, B., H.-J. Freund, W.R. Salaneck and R.W. Bigelow: Core ionization of nitrosobenzene-dimer compounds: phenazon-di-N-oxide. Chemical Physics 118 (1), 101–112 (1987).

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Vennemann, B., R. Marx and H.-J. Freund: Optical spectra of two-dimensional butadiene iron tricarbonyl in the adsorbed state. Physical Review B 35 (8), 4060–4066 (1987).

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Weide, D., P. Andresen and H.-J. Freund: UV laser-stimulated resonant desorption from metal surfaces: NO/Ni(100). Chemical Physics Letters 136 (1), 106–113 (1987).

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Weinert, C.M. and M. Scheffler: Mechanisms of defect pairing in semiconductors: A study for chalcogens in silicon. Physical Review Letters 58, 1456–1459 (1987).

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Wolf, M., A. Goschnick, J. Loboda-Cackovic, M. Grunze, W.N. Unertl and J.H. Block: Leed studies on a clean and contaminated Pd{110} surface. Surface Science 182 (3), 489–498 (1987).

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1986

Journal Article

Bigelow, R.W. and H.-J. Freund: An MNDO and CNDO / S(S + DES CI) study on the structural and electronic properties of a model squaraine dye and related cyanine. Chemical Physics 107 (2-3), 159–174 (1986).

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Fink, J., B. Scheerer, W. Wernet, M. Monkenbusch, G. Wegner, H.-J. Freund and H. Gonska: Electronic structure of pyrrole-based conducting polymers: An electron-energy-loss-spectroscopy study. Physical Review B 34 (2), 1101–1115 (1986).

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Freund, H.-J., H. Kossmann and V. Schmidt: Photoionization of inner valence electrons of CO₂ in the gas phase: a synchrotron radiation study using photon energies between 40 AND 100 eV. Chemical Physics Letters 123 (6), 463–470 (1986).

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Freund, H.-J. and R.P. Messmer: On the bonding and reactivity of CO₂ on metal surfaces. Surface Science 172 (1), 1–30 (1986).

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Freund, H.-J., R.P. Messmer, W. Spiess, H. Behner, G. Wedler and C.M. Kao: Interpretation of electronic excitations in coordinated CO systems as observed by electron-energy-loss spectroscopy. Physical Review B 33 (8), 5228–5240 (1986).

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Freund, H.-J., J. Rogozik, V. Dose and M. Neumann: Bremsstrahlung isochromat spectroscopic study of the system CO/Ni(110): Strong intermolecular interaction. Surface Science 175 (3), 651–658 (1986).

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Goschnick, A., M. Wolf, W.N. Unertl, M. Grunze, J.H. Block and J. Loboda-Cackovic: Adsorption of O₂ on Pd(110). Surface Science 178 (1-3), 831–841 (1986).

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Journal Article

Kuhlenbeck, H., M. Neumann and H.-J. Freund: Electronic and geometric structure of CO on Ni(110): Experiment and theory. Surface Science 173 (1), 194–214 (1986).

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Meijer, G., J.J.ter Meulen, P. Andresen and A. Bath: Sensitive quantum state selective detection of H₂O and D₂O by (2+1)‐resonance enhanced multiphoton ionization. The Journal of Chemical Physics 85 (12), 6914–9322 (1986).

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Messmer, R.P., P.A. Schultz, R.C. Tatar and H.-J. Freund: Theoretical evidence for "bent bonds" in the CO₂ molecule. Chemical Physics Letters 126 (2), 176–180 (1986).

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Pulm, H., G. Hohlneicher, H.-J. Freund, H.-U. Schuster, J. Drews and U. Eberv: Charge distribution in some ternary vintl phases as studied by v-ray photoelectron spectroscopy. Journal of the Less Common Metals 115 (1), 127–243 (1986).

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Schmeißer, D., I.W. Lyo, F. Greuter, E.W. Plummer, H.-J. Freund and M. Seel: Photoemission from Ordered Physisorbed Molecular Phases N₂/Graphite, N₂ and CO/Ag(lll). Berichte der Bunsen-Gesellschaft 90 (3), 228–231 (1986).

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Slaughter, A.R., M.S. Banna, R.W. Bigelow, H. Pulm and H.-J. Freund: Vapor Phase X-Ray Core-Photoelectron Spectra of N,N-Dimethyl-p-nitrosoaniline. An Experimental and Theoretical Study. Journal of the American Chemical Society 108 (8), 1891–1805 (1986).

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Journal Article

Ubachs, W., G. Meijer, J.J.ter Meulen and A. Dymanus: Hyperfine structure and lifetime of the C ²Σ⁺, v=0 state of CH. The Journal of Chemical Physics 84 (6), 3032–3041 (1986).

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Journal Article

Ubachs, W., G. Meijer, J.J.ter Meulen and A. Dymanus: High-resolution spectroscopy on the c¹Π ← a¹Δ transition in NH. Journal of Molecular Spectroscopy 115 (1), 88–104 (1986).

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1985

Journal Article

Bachelet, G.B. and M. Scheffler: No large lattice relaxations around the arsenic antisite in GaAs. Proc. 17th Int. Conf. on the Physics of Semiconductors 755–760 (1985).

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Journal Article

Beeler, F., O.K. Andersen and M. Scheffler: Electronic structure calculation of 3d-transition metal point defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 129 (1985).

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Journal Article (8374)