Publications of Thorsten Klüner

Journal Article (32)

2005
Journal Article
Cörper, Alexander, Georg Bozdech, Norbert Ernst, Thorsten Klüner and Hans-Joachim Freund: Field electron energy spectroscopy of alumina-supported platinum adatoms.
Journal Article
Klüner, Thorsten: Laser-induced desorption of small molecules from oxide surfaces: A first-principles study.
Journal Article
Starr, David E., Fabiana M.T. Mendes, Jürgen Middeke, Ralf-Peter Blum, Horst Niehus, Doron Lahav, Sebastien Guimond, Alexander Uhl, Thorsten Klüner, Martin Schmal, Helmut Kuhlenbeck, Shamil Shaikhutdinov and Hans-Joachim Freund: Preparation and characterization of well-ordered, thin niobia films on a metal substrate.
2004
Journal Article
Bach, Christian, Thorsten Klüner and Axel Gross: Multi-dimensional mixed quantum–classical description of the laser-induced desorption of molecules.
Journal Article
Borowski, Stefan and Thorsten Klüner: Massively parallel Hamiltonian action in pseudospectral algorithms applied to quantum dynamics of laser induced desorption.
Journal Article
Borowski, Stefan, Thorsten Klüner, Hans-Joachim Freund, I. Klinkmann, Katharina Al-Shamery, Mikhail Pykavy and Volker Staemmler: Lateral velocity distributions in laser-induced desorption of CO from Cr2O3(0001): experiment and theory.
Journal Article
Pacchioni, Gianfranco, Cristiana Di Valentin, David Dominguez-Ariza, Francesc Illas, Thomas Bredow, Thorsten Klüner and Volker Staemmler: Bonding of NH3, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory.
2003
Journal Article
Bach, Christian, Thorsten Klüner and Axel Gross: Simulation of laser-induced desorption of NO from NiO(100).
Journal Article
Borowski, Stefan, Thorsten Klüner and Hans-Joachim Freund: Complete analysis of the angular momentum distribution of molecules desorbing from a surface.
Journal Article
Koch, Christiane P., Thorsten Klüner, Hans-Joachim Freund and Ronnie Kosloff: Surrogate Hamiltonian study of electronic relaxation in the femtosecond laser induced desorption of NO/NiO(100).
Journal Article
Koch, Christiane P., Thorsten Klüner, Hans-Joachim Freund and Ronnie Kosloff: Femtosecond photodesorption of small molecules from surfaces: a theoretical investigation from first principles.
Journal Article
Risse, Thomas, Anders Carlsson, Marcus Bäumer, Thorsten Klüner and Hans-Joachim Freund: Using IR intensities as a probe for studying the surface chemical bond.
Journal Article
Shaikhutdinov, Shamil K., Randall J. Meyer, Doron Lahav, Marcus Bäumer, Thorsten Klüner and Hans-Joachim Freund: Determination of the atomic structure of the metal-oxide interface: Pd nanodeposits on an FeO(111) film.
2002
Journal Article
Borowski, Stefan, Stephan Thiel, Thorsten Klüner, Hans-Joachim Freund, Reinhard Tisma and Hermann Lederer: High-dimensional quantum dynamics of molecules on surfaces: a massively parallel implementation.
Journal Article
Delin, Anna and Thorsten Klüner: Excitation spectra and ground-state properties from density-functional theory for the inverted band-structure systems ß-HgS, HgSe, and HgTe.
Journal Article
Klüner, Thorsten, Niranjan Govind, Yan Alexander Wang and Emily A. Carter: 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).
Journal Article
Klüner, Thorsten, Niranjan Govind, Yan Alexander Wang and Emily A. Carter: Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states.
Journal Article
Pykavy, Mikhail, Stephan Thiel and Thorsten Klüner: Laser induced desorption of CO from Cr2O3(0001): Ab initio calculation of the four-dimensional potential energy surface for an intermediate excited state.
Journal Article
Thiel, Stephan, Thorsten Klüner, Hans-Joachim Freund and Didier Lemoine: Rovibrational preexcitation in the photodesorption of CO from Cr2O3.
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