Claudia Draxl

1 - 100 out of 223Page size: 100

Research output

  1. 2013
  2. Published

    Diffusive and massive phase transformations in Ti-Al-Nb alloys - Modelling and experiments

    Gamsjäger, E., Liu, Y., Rester, M., Puschnig, P., Draxl, C., Clemens, H., Dehm, G. & Fischer, F. D., 2013, In: Intermetallics. 38, p. 126-138

    Research output: Contribution to journal › Article › Research › peer-review

  3. Published

    Ehrlich-Schwoebel Barriers and Island Nucleation in Organic Thin-Film Growth

    Teichert, C., Hlawacek, G., Winkler, A., Puschnig, P. & Draxl, C., 2013, Small Organic Molecules on Surfaces Fundamentals and Applications. p. 79-105

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  4. 2012
  5. Published

    Photoisomerization for a molecular switch in contact with a surface

    Henzl, J., Puschnig, P., Draxl, C., Schaate, A., Ufer, B., Behrens, P. & Morgenstern, K., 2012, In: Physical review : B, Condensed matter and materials physics. 85, p. 035410-1-035410-5

    Research output: Contribution to journal › Article › Research › peer-review

  6. Published

    TiO2 (100) Al2O3 (0001) interface: A first-principles study supported by experiment

    Popov, M., Spitaler, J., Mühlbacher, M., Walter, C., Keckes, J., Mitterer, C. & Draxl, C., 2012, In: Physical review : B, Condensed matter and materials physics. 86, p. 2053091-20530913

    Research output: Contribution to journal › Article › Research › peer-review

  7. 2011
  8. Published

    Al L2,3 edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

    Olofsson, A., Tanaka, I., Mizoguchi, T., Radtke, G., Puschnig, P. & Draxl, C., 2011, In: Physical review : B, Condensed matter and materials physics. 83, p. 195206-1-195206-8

    Research output: Contribution to journal › Article › Research › peer-review

  9. Published

    A Momentum Space View of the Surface Chemical Bond

    Berkebile, S., Ules, T., Puschnig, P., Romaner, L., Koller, G., Fleming, A., Emtsev, K., Seyller, T., Draxl, C., Netzer, F. & Ramsey, M., 2011, In: Physical chemistry, chemical physics : PCCP. 13, p. 3604-3611

    Research output: Contribution to journal › Article › Research › peer-review

  10. Published

    Electronic interactions between "pea" and "pod": the case of oligothiophenes encapsulated in carbon nanotubes

    Gao, J., Blondeau, P., Salice, P., Menna, E., Bártová, B., Hébert, C., Leschner, J., Milko, M., Ambrosch-Draxl, C. & Loi, M. A., 2011, In: Small.

    Research output: Contribution to journal › Article › Research › peer-review

  11. Published

    Energetics and structure of organic molecules embedded in single-wall carbon nanotubes from first principles: The example of benzene

    Milko, M. & Draxl, C., 2011, In: Physical review : B, Condensed matter and materials physics. 84, p. 085437-085437

    Research output: Contribution to journal › Article › Research › peer-review

  12. Published

    Epitaxy of Organic Nano-Fibers on Sheet Silicates - A Growth Model Based on Experiments and Simulations

    Simbrunner, C., Nabok, D., Hernandez-Sosa, G., Oehzelt, M., Djuric, T., Resel, R., Romaner, L., Puschnig, P., Draxl, C., Salzmann, I., Schwabegger, G., Watzinger, I. & Sitter, H., 2011, In: Journal of the American Chemical Society. 133, p. 3056-3062

    Research output: Contribution to journal › Article › Research › peer-review

  13. Published

    GROWTH OF PARA-SEXIPHENYL ON ION BOMBARDED MICA: SHAPE INVESTIGATIONS OF 2nd LAYER ISLANDS Nanoscale modification of friction properties on HOPG induced by slow highly charged ions.

    Lorbek, S., Shen, Q., Nabok, D., Potocar, T., Winkler, A., Puschnig, P., Draxl, C. & Teichert, C., 2011.

    Research output: Contribution to conference › Poster › Research › peer-review

  14. Published

    Initial stages of a para-hexaphenyl film growth on amorphous mica

    Potocar, T., Lorbek, S., Nabok, D., Shen, Q., Tumbek, L., Hlawacek, G., Puschnig, P., Draxl, C., Teichert, C. & Winkler, A., 2011, In: Physical review : B, Condensed matter and materials physics. 83, p. 075423-1-075423-10

    Research output: Contribution to journal › Article › Research › peer-review

  15. Published

    Island nucleation of oligophenylene molecules on amorphous surfaces

    Lorbek, S., Potocar, T., Shen, Q., Nabok, D., Hlawacek, G., Winkler, A., Puschnig, P., Draxl, C. & Teichert, C., 2011.

    Research output: Contribution to conference › Poster › Research › peer-review

  16. Published

    Island nucleation of oligophenylene molecules on amorphous surfaces

    Lorbek, S., Potocar, T., Shen, Q., Nabok, D., Hlawacek, G., Winkler, A., Puschnig, P., Draxl, C. & Teichert, C., 2011.

    Research output: Contribution to conference › Poster › Research › peer-review

  17. Published

    Microstructure and Phase Behavior of a Quinquethiophene-Based Self-Assembled Monolayer as a Function of Temperature

    Flesch, H.-G., Mathijssen, S. G. J., Gholamrezaie, F., Moser, A., Neuhold, A., Novák, J., Ponomarenko, S. A., Shen, Q., Teichert, C., Hlawacek, G., Puschnig, P., Draxl, C., Resel, R. & de Leeuw, D. M., 2011, In: Journal of physical chemistry C (C, Nanomaterials and interfaces). 115, p. 22925-22930

    Research output: Contribution to journal › Article › Research › peer-review

  18. Published

    noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

    Nabok, D., Puschnig, P. & Ambrosch-Draxl, C., 2011, In: Computer physics communications. 182, 8

    Research output: Contribution to journal › Article › Research › peer-review

  19. Published

    Orbital tomography: Deconvoluting photoemission spectra of organic molecules

    Puschnig, P., Reinisch, E.-M., Ules, T., Koller, G., Subatch, S., Ostler, M., Romaner, L., Tautz, F. S., Draxl, C. & Ramsey, M., 2011, In: Physical review : B, Condensed matter and materials physics. 84, p. 235427-1-235427-8

    Research output: Contribution to journal › Article › Research › peer-review

  20. Published

    Structure Solution of the 6,13-Pentacenequinone Surface-Induced Polymorph by Combining X-ray Diffraction Reciprocal-Space Mapping and Theoretical Structure Modeling

    Salzmann, I., Nabok, D., Oehzelt, M., Duhm, S., Moser, A., Heimel, G., Puschnig, P., Draxl, C., Rabe, J. P. & Koch, N., 2011, In: Crystal growth & design. 11, p. 600-606

    Research output: Contribution to journal › Article › Research › peer-review

  21. 2010
  22. Published

    Ab-initio investiation of the interface structure of TiO2 grown on Al2O3

    Popov, M., Spitaler, J., Walter, C. & Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  23. Published

    ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

    Chakraborty, M., Spitaler, J., Puschnig, P. & Ambrosch-Draxl, C., 2010, In: Computer physics communications. 181, p. 913-920

    Research output: Contribution to journal › Article › Research › peer-review

  24. Published

    Computational Approaches Towards Organic Thin-Film Growth

    Nabok, D., Romaner, L., Puschnig, P. & Ambrosch-Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  25. Published

    DFT-based stacking fault energy in the Fe-22.5at.%Mn random alloy above room temperature

    Reyes-Huamantinco, A., Ruban, A., Puschnig, P., Wiessner, M., Wiener, J., Ebner, R. & Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  26. Published

    Effect of Rhenium on the Dislocation Core Structure in Tungsten

    Pippan, R., Romaner, L. & Draxl, C., 2010, In: Physical review letters. p. 195503-195503

    Research output: Contribution to journal › Article › Research › peer-review

  27. Published

    ElaStic: A universal tool for calculating elastic constants from first principles

    Golesorkhtabar, R., Pavone, P., Spitaler, J., Puschnig, P. & Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  28. Published

    Encapsulation of Conjugated Oligomers in Single Wall Carbon Nanotubes: Towards Nano-Hybrids for Photonic Devices

    Loi, M. A., Gao, J., Cordella, F., Blondeau, P., Menna, E., Bártová, B., Hébert, C., Lazar, S., Botton, G. A., Milko, M. & Draxl, C., 2010, In: Advanced materials. 14, p. 1635-1639

    Research output: Contribution to journal › Article › Research › peer-review

  29. Published

    Energetics and electronic structure of phenyl-disubstituted polyacetylene: A first-principles study

    Sony, P., Schukla, A. & Draxl, C., 2010, In: Physical review : B, Condensed matter and materials physics. 82, p. 035213-035220

    Research output: Contribution to journal › Article › Research › peer-review

  30. Published

    Equilibrium geometries of organic rod-like molecules on dielectric substrates

    Nabok, D., Puschnig, P. & Ambrosch-Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  31. Published

    Initial stages of para-hexaphenyl film growth on amorphous mica surfaces.

    Potocar, T., Lorbek, S., Hlawacek, G., Shen, Q., Nabok, D., Puschnig, P., Draxl, C., Teichert, C. & Winkler, A., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  32. Published

    Relativistic effects in the linear optical properties of Au, Pt, Pb, and W

    Glantschnig, K. & Draxl, C., 2010, In: New journal of physics. 12, p. 103048-103064

    Research output: Contribution to journal › Article › Research › peer-review

  33. Published

    Stacking-fault energies for Cu, Ag, and Au from density-functional theory

    Li, H., Romaner, L., Pippan, R. & Ambrosch-Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  34. Published

    The Influence of Interstitial Carbon on the γ-Surface in Iron-Carbon Alloys

    Gholizadeh, H., Puschnig, P. & Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  35. Published

    Theoretical analysis of the momentum-dependent loss function of bulk Ag

    Alkauskas, A., Schneider, S., Sagmeister, S., Draxl, C. & Hèbert, C., 2010, In: Ultramicroscopy. 110, p. 1081-1081

    Research output: Contribution to journal › Article › Research › peer-review

  36. Published

    Thermodynamic Properties of g-TiAl-based Alloys with a High Amount of Niobium

    Liu, Y., Puschnig, P., Gamsjäger, E. & Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  37. Published

    The role of non-local correlations for the cohesive properties of the coinage metals

    Romaner, L., Ren, X., Scheffler, M. & Ambrosch-Draxl, C., 2010.

    Research output: Contribution to conference › Poster › Research › peer-review

  38. Published

    The Role of van der Waals Interactions in Organic Adsorbates and Organic/Inorganic Interfaces

    Tkatchenko, A., Romaner, L., Hofmann, O. T., Zojer, E., Draxl, C. & Scheffler, M., 2010, In: MRS Bulletin. 35, p. 435-442

    Research output: Contribution to journal › Article › Research › peer-review

  39. 2009
  40. Published

    Angle-resolved photoemission of chain-like molecules: the electronic band structure of sexithiophene and sexiphenyl

    Berkebile, S., Koller, G., Puschnig, P., Draxl, C., Netzer, F. & Ramsey, M., 2009, In: Applied physics / A (Series A, Materials science & processing). 95, p. 101-105

    Research output: Contribution to journal › Article › Research › peer-review

  41. Published

    Band-structure topologies of graphene: spin-orbit coupling effects from first principles

    Gmitra, M., Konschuh, S., Ertler, C., Draxl, C. & Fabian, J., 2009, In: Physical review : B, Condensed matter and materials physics. 80, p. 235431-235435

    Research output: Contribution to journal › Article › Research › peer-review

  42. Published

    Combined use of small-angle neutron scattering and atom probe tomography for the analysis of precipitates in a Fe-15 m%CO-25 m%Mo alloy

    Eidenberger, E., Stergar, E., Leitner, H., Staron, P., Spitaler, J., Draxl, C. & Clemens, H., 2009, In: Applied physics / A (Series A, Materials science & processing). 97, p. 331-340

    Research output: Contribution to journal › Article › Research › peer-review

  43. Published

    Core-Excitonic Effects in X-Ray Absorption Near-Edge Structure (XANES) Using the Bethe-Salpeter Equation

    Olovsson, W., Tanaka, I., Puschnig, P. & Draxl, C., 2009.

    Research output: Contribution to conference › Poster › Research › peer-review

  44. Published

    Crystal structure determination from two-dimensional powders: A combined experimental and theoretical approach

    Moser, A., Werzer, O., Flesch, H.-G. F., Koini, M., Smiligies, D., Nabok, D., Puschnig, P., Draxl, C., Schiek, M., Rubahn, H.-G. & Resel, R., 2009, In: European physical journal, The / Applied physics : EPJ. 168, p. 59-65

    Research output: Contribution to journal › Article › Research › peer-review

  45. Published

    Density Functional Theory Including Van der Waals Interactions: Application to Coinage Metals and Metal-Organic Hybrid Systems

    Romaner, L., Nabok, D., Puschnig, P., Zojer, E., Scheffler, M. & Ambrosch-Draxl, C., 2009.

    Research output: Contribution to conference › Poster › Research › peer-review

  46. Published

    Excitons in organic semiconductors

    Puschnig, P. & Ambrosch-Draxl, C., 2009, In: Comptes rendus physique. 10, p. 504-513

    Research output: Contribution to journal › Article › Research › peer-review

  47. Published

    Excitons in Organic Semiconductors, Carbon Nanotubes, and NanoPeapods

    Puschnig, P., Milko, M. & Ambrosch-Draxl, C., 2009.

    Research output: Contribution to conference › Poster › Research › peer-review

  48. Published

    First Principles Excitonic Effects in Shallow Core X-ray Absorption Near Edge Structures

    Olovsson, W., Tanaka, I., Mizoguchi, T., Puschnig, P. & Draxl, C., 2009, In: Physical review : B, Condensed matter and materials physics. 79, p. 041102(R)-041102(R)

    Research output: Contribution to journal › Article › Research › peer-review

  49. Published

    First-principles study of peapod families formed by Pi-conjugated molecules inside carbon nanotubes

    Milko, M. & Ambrosch-Draxl, C., 2009.

    Research output: Contribution to conference › Poster › Research › peer-review

  50. Published

    Lattice vibrations in CaV2O5 and their manifestations: A theoretical study based on density functional theory

    Spitaler, J., Ambrosch-Draxl, C. & Sherman, E. Y., 2009, In: New journal of physics. 11, p. 1-15

    Research output: Contribution to journal › Article › Research › peer-review

  51. Published

    Multielectron approach to the electronic structure and mechanisms of superconductivity in high-Tc surprates

    Ovchinnikov, S. G., Gavrichkov, V. A., Korshunov, M. M., Schneyder, E. I., Nekrasov, I. A., Kokorina, E. E., Pchelkina, Z. V., Draxl, C. & Spitaler, J., 2009, In: Journal of magnetism and magnetic materials. 321, p. 917-919

    Research output: Contribution to journal › Article › Research › peer-review

  52. Published

    Near-edge structures from first principles all-electron Bethe–Salpeter equation calculations

    Olovsson, W., Tanaka, I., Puschnig, P. & Draxl, C., 2009, In: Journal of physics (Condensed matter). 21, p. 104205-104205

    Research output: Contribution to journal › Article › Research › peer-review

  53. Published

    Optical constants and inelastic electron scattering data for 17 elemental metals

    Werner, W. S. M., Glantschnig, K. & Draxl, C., 2009, In: Journal of physical and chemical reference data. 38, p. 1013-1013

    Research output: Contribution to journal › Article › Research › peer-review

  54. Published

    Reconstruction of Molecular Orbital Densities from Photoemission Data

    Puschnig, P., Berkebile, S., Fleming, A., Koller, G., Emtsev, K., Seyller, T., Riley, J., Ambrosch-Draxl, C., Netzer, F. & Ramsey, M., 2009, In: Science. 326, p. 702-706

    Research output: Contribution to journal › Article › Research › peer-review

  55. Published

    Self-consistently renormalized quasiparticles under the electron-phonon interaction

    Eiguren, A. & Draxl, C., 2009, In: Physical review : B, Condensed matter and materials physics. 79, p. 245103-245119

    Research output: Contribution to journal › Article › Research › peer-review

  56. Published

    Spin polarization and relativistic electronic structure of the 1x1 H/W(110)surface

    Eiguren, A. & Draxl, C., 2009, In: New journal of physics. 11, p. 013056-013068

    Research output: Contribution to journal › Article › Research › peer-review

  57. Published

    The Ehrlich Schwoebel barrier in organic thin film growth

    Teichert, C., Hlawacek, G., Puschnig, P., Draxl, C., Frank, P. & Winkler, A., 2009, JSPS 141 Committee Activity Report. p. 583-584

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  58. Published

    The electronic structure of pentacene revisited

    Berkebile, S., Koller, G., Fleming, A., Puschnig, P., Draxl, C., Emtsev, K., Seyller, T., Riley, J. & Ramsey, M., 2009, In: Journal of electron spectroscopy and related phenomena. 174, p. 22-27

    Research output: Contribution to journal › Article › Research › peer-review

  59. Published

    Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

    Romaner, L., Nabok, D., Puschnig, P., Zojer, E. & Ambrosch-Draxl, C., 2009, In: New journal of physics. 11, p. 053010-053010

    Research output: Contribution to journal › Article › Research › peer-review

  60. Published

    The role of polymorphism in organic films: The oligoacenes investigated from first principles

    Draxl, C., Nabok, D., Puschnig, P. & Meisenbichler, C., 2009, In: New journal of physics. 11, p. 125010-23pp

    Research output: Contribution to journal › Article › Research › peer-review

  61. Published

    Time-dependent density functional theory versus Bethe-Salpeter equation: An all-electron study

    Sagmeister, S. & Draxl, C., 2009, In: Physical chemistry, chemical physics : PCCP. 11, p. 4451-4457

    Research output: Contribution to journal › Article › Research › peer-review

  62. Published

    Toward an Ab-initio Description of Organic Thin Film Growth

    Puschnig, P., Nabok, D. & Ambrosch-Draxl, C., 2009, Interface Controlled Organic Thin Films. p. 3-10

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  63. Published

    Toward an Ab-initio Description of Organic Thin Film Growth

    Puschnig, P., Nabok, D. & Ambrosch-Draxl, C., 2009, Interface controlled organic thin films. p. 3-10 (Springer proceedings in physics; vol. 129).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  64. 2008
  65. Published

    Characterization of Step-Edge Barriers in Organic Thin-Film Growth

    Hlawacek, G., Puschnig, P., Frank, P., Winkler, A., Draxl, C. & Teichert, C., 2008, In: Science. 321, p. 108-111

    Research output: Contribution to journal › Article › Research › peer-review

  66. Published

    Cohesive and surface energies of organic molecular crystals

    Nabok, D., Puschnig, P. & Ambrosch-Draxl, C., 2008.

    Research output: Contribution to conference › Poster › Research › peer-review

  67. Published

    Cohesive and surface energies of pi-conjugated organic molecular crystals: A first-principles study

    Nabok, D., Puschnig, P. & Ambrosch-Draxl, C., 2008, In: Physical review : B, Condensed matter and materials physics. 77, p. 245316-1-245316-5

    Research output: Contribution to journal › Article › Research › peer-review

  68. Published

    Complex Quasi-particle Band Structure Induced by Electron-Phonon Interaction: Band Splitting in the 1x1 Hydrogen Covered W(110) Surface

    Eiguren, A. & Draxl, C., 2008, In: Applied physics letters. p. 84-89

    Research output: Contribution to journal › Article › Research › peer-review

  69. Published

    Electronic band structure of pentacene: An experimental and theoretical study

    Berkebile, S., Puschnig, P., Koller, G., Oehzelt, M., Netzer, F., Draxl, C. & Ramsey, M., 2008, In: Physical review : B, Condensed matter and materials physics. 77, p. 115312-1-115312-5

    Research output: Contribution to journal › Article › Research › peer-review

  70. Published

    Excitonic effects in semiconducting polymers - a comparison of TDDFT with the Bethe-Salpeter Equation

    Sagmeister, S., Puschnig, P. & Ambrosch-Draxl, C., 2008.

    Research output: Contribution to conference › Poster › Research › peer-review

  71. Published

    First-principle investigation of oxygen-defficiect LSCO

    Chakraborty, M., Puschnig, P. & Ambrosch-Draxl, C., 2008.

    Research output: Contribution to conference › Poster › Research › peer-review

  72. Published

    First-principles approach to the understanding of pi-conjugated organic semiconductors

    Puschnig, P. & Ambrosch-Draxl, C., 2008, In: Monatshefte für Chemie = Chemical monthly. 139, p. 389-399

    Research output: Contribution to journal › Article › Research › peer-review

  73. Published

    First-principles study of FexSi (x = 3, 15, 53): bulk and surface

    Zhang, H., Puschnig, P., Ebner, R. & Ambrosch-Draxl, C., 2008.

    Research output: Contribution to conference › Poster › Research › peer-review

  74. Published

    First-principles study of phonons, optical properties, and Raman spectra in MgV2O5

    Spitaler, J., Sherman, E. Y. & Ambrosch-Draxl, C., 2008, In: Physical review : B, Condensed matter and materials physics. 78, p. 064304-1-064304-9

    Research output: Contribution to journal › Article › Research › peer-review

  75. Published

    Influence of the Core-Valence Interaction and of the Pseudopotential Approximation on the Electron Self-Energy in Semiconductors

    Gomez-Abal, R., Xinzheng, L., Scheffler, M. & Draxl, C., 2008, In: Physical review letters. 101, p. 106404-1-106404-4

    Research output: Contribution to journal › Article › Research › peer-review

  76. Published

    Measurement and Density Functional Calculations of Optical Constants of Ag and Au from Infrared to VUV Wavelength

    Werner, W. S. M., Went, M. R., Vos, M., Glantschnig, K. & Draxl, C., 2008, In: Physics reviews. p. 161404-1-101404-4

    Research output: Contribution to journal › Article › Research › peer-review

  77. Published

    Reconstruction of Molecular Orbitals from AngleResolved Photoemission Experiments

    Puschnig, P., Berkebile, S., Koller, G., Ramsey, M. & Ambrosch-Draxl, C., 2008.

    Research output: Contribution to conference › Poster › Research › peer-review

  78. Published

    The dielectric constant of self-assembled monolayers

    Romaner, L., Heimel, G., Ambrosch-Draxl, C. & Zojer, E., 2008, In: Advanced functional materials. p. 3999-4006

    Research output: Contribution to journal › Article › Research › peer-review

  79. Published

    The role of doping and pressure in Hg based high Tc cuprates: A theoretical study

    Ambrosch-Draxl, C., Thonhauser, T. & Sherman, E., 2008, In: Current applied physics. 8, p. 149-152

    Research output: Contribution to journal › Article › Research › peer-review

  80. Published

    Wannier interpolation scheme for phonon-induced potentials: Application to bulk MgB2, W, and the (1x1) H-covered W(110) surface

    Eiguren, A. & Draxl, C., 2008, In: Physical review : B, Condensed matter and materials physics. 78, p. 045124-1-045124-8

    Research output: Contribution to journal › Article › Research › peer-review

  81. 2007
  82. Published

    Adsorption of thiophene on Cu(110) and Cu(110)

    Sony, P., Puschnig, P., Nabok, D. & Ambrosch-Draxl, C., 2007.

    Research output: Contribution to conference › Poster › Research › peer-review

  83. Published

    Adsorption of thiophene on Cu(110) and Cu(110)

    Sony, P., Puschnig, P., Nabok, D. & Ambrosch-Draxl, C., 2007.

    Research output: Contribution to conference › Poster › Research › peer-review

  84. Published

    A full-band FPLAPW+kp-method for solving the Kohn–Sham equation

    Persson, C. & Draxl, C., 2007, In: Computer physics communications. 177, p. 280-287

    Research output: Contribution to journal › Article › Research › peer-review

  85. Published

    Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations

    Nabok, D., Puschnig, P., Ambrosch-Draxl, C., Werzer, O., Resel, R. & Smiligies, D., 2007, In: Physical review : B, Condensed matter and materials physics. 76, p. 235322 -235322

    Research output: Contribution to journal › Article › Research › peer-review

  86. Published

    Excitonic effects in semiconducting polymers - a comparison of TDDFT with the Bether-Salpeter Equation

    Sagmeister, S., Puschnig, P. & Ambrosch-Draxl, C., 2007.

    Research output: Contribution to conference › Poster › Research › peer-review

  87. Published

    First-principles Approach to Noncollinear Magnetism: Towards Spin Dynamics

    Sharma, S., Dewhurst, J. K., Draxl, C., Kurth, S., Helbig, N., Pittalis, S., Shallcross, S., Nordström, L. & Gross, E. K. U., 2007, In: Physical review letters. 98, p. 196405-196405

    Research output: Contribution to journal › Article › Research › peer-review

  88. Published

    Importance of Van Der Waals Interaction for Organic Molecule-Metal Junctions: Adsorption of Thiophene on Cu(110) as a Prototype

    Sony, P., Puschnig, P., Nabok, D. & Ambrosch-Draxl, C., 2007, In: Physical review letters. 99, p. 176401-176401

    Research output: Contribution to journal › Article › Research › peer-review

  89. Published

    Intra- and Intermolecular Band Dispersion in an Organic Crystal

    Koller, G., Berkebile, S., Oehzelt, M., Puschnig, P., Draxl, C., Netzer, F. P. & Ramsey, M. G., 2007, In: Science. p. 351-355

    Research output: Contribution to journal › Article › Research › peer-review

  90. Published

    Zone center phonons in NaV2O5: A comprehensive ab-initio study including Raman spectra and electron-phonon interaction

    Spitaler, J., Sherman, E. Y. & Ambrosch-Draxl, C., 2007, In: Physical review : B, Condensed matter and materials physics. 75, p. 014302-1-014302-13

    Research output: Contribution to journal › Article › Research › peer-review

  91. 2006
  92. Published

    Ab-initio study on the exciton binding energies in organic semiconductors

    Hummer, K., Ambrosch-Draxl, C., Puschnig, P. & Sagmeister, S., 2006, In: Modern physics letters / B. 20, p. 261-280

    Research output: Contribution to journal › Article › Research › peer-review

  93. Published

    Atomistic Modelling of Optical Properties of Thin Films

    Puschnig, P. & Ambrosch-Draxl, C., 2006, In: Advanced engineering materials. 8, p. 1151-1155

    Research output: Contribution to journal › Article › Research › peer-review

  94. Published

    DFTEM 2006 – bringing together two communities

    Luitz, J., Hébert, C., Weinmeier, K., Blaha, P., Ambrosch-Draxl, C. & Schattschneider, P., 2006, Proceedings of the International Conference on DFT and Transmission Electron Microscopy. p. 21-23

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  95. Published

    Excitonic effects in molecular crystals built up by small organic molecules

    Ambrosch-Draxl, C., Hummer, K., Sagmeister, S. & Puschnig, P., 2006, In: Journal of chemical physics (The journal of chemical physics). 325, p. 3-8

    Research output: Contribution to journal › Article › Research › peer-review

  96. Published

    Inhomogeneity effects in oxygen doped HgBa2CuO4

    Ambrosch-Draxl, C., 2006, In: Physical review : B, Condensed matter and materials physics. 74, p. 024503-024509

    Research output: Contribution to journal › Article › Research › peer-review

  97. Published

    Linear and non-linear optical properties of Li under pressure

    Alonso, R. E., Sharma, S., Draxl, C., Rodriguez, C. O. & Christensen, N. E., 2006, In: Physics reviews. p. 064101-1-064101-8

    Research output: Contribution to journal › Article › Research › peer-review

  98. Published

    Linear optical properties of solids within the full-potential linearized augmented planewave method

    Ambrosch-Draxl, C. & Sofo, J. O., 2006, In: Computer physics communications. 175, p. 1-13

    Research output: Contribution to journal › Article › Research › peer-review

  99. Published

    Phase transition and electronic properties of fluorene: A joint experimental and theoretical high pressure study

    Heimel, G., Hummer, H., Draxl, C., Chunwachirasiri,, W., Winokur,, M. J., Han, M., Oehzelt, M., Aichholzer, A. & Resel, R., 2006, In: Physical review : B, Condensed matter and materials physics. p. 024109-1-024109-13

    Research output: Contribution to journal › Article › Research › peer-review

  100. Published

    The puzzling Hg family revisited: a comprehensive study based on density functional theory

    Ambrosch-Draxl, C., 2006, In: Iranian journal of physics research (IJPR). 6, p. 103-116

    Research output: Contribution to journal › Article › Research › peer-review

  101. 2005
  102. Published

    Ab-initio study of excitonic effects in conventional and organic semiconductors

    Hummer, K., Draxl, C., Bussi, G., Ruini, A., Caldas, M. J., Molinari, E., Laskowski, R. & Christensen, N. E., 2005, In: Physica status solidi / B. 242, p. 1754-1754

    Research output: Contribution to journal › Article › Research › peer-review

  103. Published

    Ab-initio study of excitons in GaN

    Laskowski, R., Christensen, N. E., Santi, G. & Draxl, C., 2005, In: Physical review : B, Condensed matter and materials physics. 72, p. 035204-1-035204-8

    Research output: Contribution to journal › Article › Research › peer-review

  104. Published

    All-Electron Exact Exchange Treatment of Semiconductors: Effect of Core-Valence Interaction on Band-Gap and d-Band Position

    Sharma, S., Dehwurst, J. K. & Draxl, C., 2005, In: Physical review letters. 95, p. 136402-136402

    Research output: Contribution to journal › Article › Research › peer-review

  105. Published

    Electronic properties of oligoacenes from first principles

    Hummer, K. & Draxl, C., 2005, In: Physics reviews. 72, p. 205205-1-205205-10

    Research output: Contribution to journal › Article › Research › peer-review

  106. Published

    Fermi-surface-induced lattice distortion in NbTe2

    Battaglia, C., Cercellier, H., Clerc, F., Despont, L., Garnier, M. G., Koitzsch, C., Aebi, P., Berger, H., Làszlò, F. & Draxl, C., 2005, In: Physics reviews. 72, p. 195114,1-195114-10

    Research output: Contribution to journal › Article › Research › peer-review

  107. Published

    Influence of pressure on the structure and electronic properties of the layered superconductor Y2C2I2

    Ahn, K., Kremer, R., Simon, A., Marshall, W. G., Puschnig, P. & Ambrosch-Draxl, C., 2005, In: Journal of physics (Condensed matter). 17, p. S3121-S3130

    Research output: Contribution to journal › Article › Research › peer-review

  108. Published

    Oligoacene exciton binding energies: Their dependence on molecular size

    Hummer, K. & Draxl, C., 2005, In: Physical review : B, Condensed matter and materials physics. 71, p. 081202-1-081202-4

    Research output: Contribution to journal › Article › Research › peer-review

  109. 2004
  110. Published

    Augmented Planewave Methods

    Ambrosch-Draxl, C., 2004, In: Physica scripta. T109, p. 48-48

    Research output: Contribution to journal › Article › Research › peer-review

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