Found 492 results
2009
F. Sottile, Plane-waves approach to Energy Loss Spectroscopy: Features, tools and results. Understanding Materials through Electron Microscopes: Realising the Potential, Imperial College of London, United Kingdom, 2009.
, The self-energy beyond GW: Local and nonlocal vertex corrections, The Journal of Chemical Physics, vol. 131. AIP, p. 154111, 2009.
, Spatial Resolution in Electron Energy-Loss Spectroscopy. DPG Spring Meeting, Dresden (Germany), 2009.
L. Reining, Theoretical spectroscopy, Comptes rendus physique, vol. Tome 10 N°6. 2009.
F. Sottile, Time Dependent Density Functional Theory: Introduction and Applications. International Workshop on Current Topics in Transmission Electron Microscopy: Plasmonics and Strain Mapping, Ringberg Castle, Munich, Germany, 2009.
, Valence-band electronic structure of V[sub 2]O[sub 3]: Identification of V and O bands, Physical Review B (Condensed Matter and Materials Physics), vol. 80. APS, p. 155115, 2009.
2008
F. Sottile, Ab Initio calculations of electronic excitations: Carbon Nanotubes and Graphene layer systems. 11th Journées de la Matière Condensée, Strasbourg, France, 2008.
L. Reining, Ab initio calculations of electronic response - ingredients, results and challenges. Workshop Recent Developments in Electronic Structure, University of Illinois Urbana (USA), 2008.
, Ab Initio GW Many-Body Effects in Graphene, Physical Review Letters, vol. 101. APS, p. 226405, 2008.
, Ab initio study of bilateral doping within the $MoS_{2}-NbS_{2}$ system, Phys. Rev. B, vol. 78. American Physical Society, p. 134104, 2008.
, Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects, Phys. Rev. B, vol. 78. American Physical Society, p. 235428, 2008.
, Accuracy of the pseudopotential approximation in ab initio theoretical spectroscopies, Physical Review B, vol. 78. p. 245124, 2008.
, Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite, Physical Review Letters, vol. 101. APS, p. 266406, 2008.
, Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces, PHYSICAL REVIEW B, vol. 78, 035333. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2008.
R. Hambach, EELS for Graphite, Graphene and SWCNTs: Plasmons and LFE.. MORE2008 Vienna (Austria), 2008.
L. Reining, Electronic response: theoretical approaches and link to experiment. MORE: Meeting on Optical Response in Extended Systems, Vienna (Austria), 2008.
L. Reining, Exchange and correlation effects in electronic spectra: contributions from ab initio calculations. Workshop on X-ray spectroscopies: theory and experiment, Lausanne (Switzerland), 2008.
, First-principles study of silicon nanocrystals: Structural and electronic properties, absorption, emission, and doping, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, vol. 8. pp. 479-492, 2008.
L. Reining, Insight and prediction of material properties from ab initio calculations of electronic excitations. Second International Symposium on Structure-Property Relationships in Solid State Materials, Nantes (France), 2008.
, Linear plasmon dispersion in single-wall carbon nanotubes and the collective excitation spectrum of graphene, Phys. Rev. Lett., vol. 100. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 196803, 2008.
, Reversible switching in phase-change materials, MATERIALS TODAY, vol. 11. ELSEVIER SCI LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND, pp. 20-27, 2008.
, Sharing electronic structure and crystallographic data with ETSF_IO, COMPUTER PHYSICS COMMUNICATIONS, vol. 179. ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 748-758, 2008.
, Specification of an extensible and portable file format for electronic structure and crystallographic data, Computational Materials Science, vol. 43. 2008.
, Structure of the liquid and the crystal of the phase-change material $SnSe_{2}$ : First-principles molecular dynamics, Phys. Rev. B, vol. 78. American Physical Society, p. 224209, 2008.