Publications of Thorsten Klüner

Starr, D. E.; Mendes, F. M. T.; Middeke, J.; Blum, R.-P.; Niehus, H.; Lahav, D.; Guimond, S.; Uhl, A.; Klüner, T.; Schmal, M. et al.; Kuhlenbeck, H.; Shaikhutdinov, S.; Freund, H.-J.: Preparation and characterization of well-ordered, thin niobia films on a metal substrate. Surface Science 599 (1-3), pp. 14 - 26 (2005)

Cörper, A.; Bozdech, G.; Ernst, N.; Klüner, T.; Freund, H.-J.: Field electron energy spectroscopy of alumina-supported platinum adatoms. Physica Status Solidi B 242 (12), pp. 2462 - 2467 (2005)

Meyer, R. J.; Lahav, D.; Schalow, T.; Laurin, M.; Brandt, B.; Schauermann, S.; Guimond, S.; Klüner, T.; Kuhlenbeck, H.; Libuda, J. et al.; Shaikhutdinov, S.; Freund, H.-J.: CO adsorption and thermal stability of Pd deposited on a thin FeO(1 1 1) film. Surface Science 586 (1-3), pp. 174 - 182 (2005)

Klüner, T.: Laser-induced desorption of small molecules from oxide surfaces: A first-principles study. Israel Journal of Chemistry 45 (1-2), pp. 77 - 95 (2005)

Borowski, S.; Klüner, T.: Massively parallel Hamiltonian action in pseudospectral algorithms applied to quantum dynamics of laser induced desorption. Chemical Physics 304 (1-2), pp. 51 - 58 (2004)

Pacchioni, G.; Di Valentin, C.; Dominguez-Ariza, D.; Illas, F.; Bredow, T.; Klüner, T.; Staemmler, V.: Bonding of NH₃, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory. Journal of Physics: Condensed Matter 16 (26), pp. S2497 - S2507 (2004)

Bach, C.; Klüner, T.; Gross, A.: Multi-dimensional mixed quantum–classical description of the laser-induced desorption of molecules. Applied Physics A 78 (2), pp. 231 - 238 (2004)

Borowski, S.; Klüner, T.; Freund, H.-J.; Klinkmann, I.; Al-Shamery, K.; Pykavy, M.; Staemmler, V.: Lateral velocity distributions in laser-induced desorption of CO from Cr₂O₃(0001): experiment and theory. Applied Physics A 78 (2), pp. 223 - 230 (2004)

Bach, C.; Klüner, T.; Gross, A.: Simulation of laser-induced desorption of NO from NiO(100). Chemical Physics Letters 376 (3-4), pp. 424 - 431 (2003)

Borowski, S.; Klüner, T.; Freund, H.-J.: Complete analysis of the angular momentum distribution of molecules desorbing from a surface. Journal of Chemical Physics 119 (19), pp. 10367 - 10375 (2003)

Koch, C. P.; Klüner, T.; Freund, H.-J.; Kosloff, R.: Surrogate Hamiltonian study of electronic relaxation in the femtosecond laser induced desorption of NO/NiO(100). Journal of Chemical Physics 119 (3), pp. 1750 - 1765 (2003)

Koch, C. P.; Klüner, T.; Freund, H.-J.; Kosloff, R.: Femtosecond photodesorption of small molecules from surfaces: a theoretical investigation from first principles. Physical Review Letters 90 (11), pp. 117601-1 - 117601-4 (2003)

Risse, T.; Carlsson, A.; Bäumer, M.; Klüner, T.; Freund, H.-J.: Using IR intensities as a probe for studying the surface chemical bond. Surface science 546, pp. L829 - L835 (2003)

Shaikhutdinov, S. K.; Meyer, R. J.; Lahav, D.; Bäumer, M.; Klüner, T.; Freund, H.-J.: Determination of the atomic structure of the metal-oxide interface: Pd nanodeposits on an FeO(111) film. Physical Review Letters 91 (7), 076102 (2003)

Pykavy, M.; Thiel, S.; Klüner, T.: Laser induced desorption of CO from Cr₂O₃(0001): Ab initio calculation of the four-dimensional potential energy surface for an intermediate excited state. Journal of Physical Chemistry B 106 (48), pp. 12556 - 12562 (2002)

Thiel, S.; Klüner, T.; Lemoine, D.; Freund, H.-J.: Rovibrational preexcitation in the photodesorption of CO from Cr₂O₃. Chemical Physics 282 (3), pp. 361 - 370 (2002)

Delin, A.; Klüner, T.: Excitation spectra and ground-state properties from density-functional theory for the inverted band-structure systems ß-HgS, HgSe, and HgTe. Physical Review B 66 (3), pp. 035117-1 - 035117-8 (2002)

Klüner, T.; Govind, N.; Wang, Y. A.; Carter, E. A.: Reply to the comment on "Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles", Phys. Rev. Lett., Vol. 86, 5954 (2001). Physical Review Letters 88 (20), p. 209702-1 - 209702-1 (2002)

Borowski, S.; Thiel, S.; Klüner, T.; Freund, H.-J.; Tisma, R.; Lederer, H.: High-dimensional quantum dynamics of molecules on surfaces: a massively parallel implementation. Computer Physics Communications 143 (2), pp. 162 - 173 (2002)

Thiel, S.; Pykavy, M.; Klüner, T.; Freund, H.-J.; Kosloff, R.; Staemmler, V.: Rotational alignmen in the photodesorption of CO from Cr₂O₃(0001): A systematic three-dimensional ab initio study. The Journal of Chemical Physics 116 (2), pp. 762 - 773 (2002)