Theoretical Spectroscopy Group

P. Romaniello, Guyot, S., and Reining, L., “The self-energy beyond GW: Local and nonlocal vertex corrections”, The Journal of Chemical Physics, vol. 131. AIP, p. 154111, 2009.

R. Hambach, Giorgetti, C., Sottile, F., and Reining, L., “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.

E. Papalazarou, Gatti, M., Marsi, M., Brouet, V., Iori, F., Reining, L., Annese, E., Vobornik, I., Offi, F., Fondacaro, A., Huotari, S., Lacovig, P., Tjernberg, O., Brookes, N. B., Sacchi, M., Metcalf, P., and Panaccione, G., “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.

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.

P. E. Trevisanutto, Giorgetti, C., Reining, L., Ladisa, M., and Olevano, V., “Ab Initio GW Many-Body Effects in Graphene”, Physical Review Letters, vol. 101. APS, p. 226405, 2008.

V. V. Ivanovskaya, Zobelli, A., Gloter, A., Brun, N., Serin, V., and Colliex, C., “Ab initio study of bilateral doping within the $MoS_{2}-NbS_{2}$ system”, Phys. Rev. B, vol. 78. American Physical Society, p. 134104, 2008.

A. - G. Marinopoulos, Reining, L., and Rubio, A., “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.

E. Luppi, Weissker, H. - C., Bottaro, S., Sottile, F., Veniard, V., Reining, L., and Onida, G., “Accuracy of the pseudopotential approximation in ab initio theoretical spectroscopies”, Physical Review B, vol. 78. p. 245124, 2008.

R. Hambach, Giorgetti, C., Hiraoka, N., Cai, Y. Q., Sottile, F., Marinopoulos, A. - G., Bechstedt, F., and Reining, L., “Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite”, Physical Review Letters, vol. 101. APS, p. 266406, 2008.

S. Botti, Castro, A., Andrade, X., Rubio, A., and Marques, M., “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.

S. Ossicini, Bisi, O., Degoli, E., Marri, I., Iori, F., Luppi, E., Magri, R., Poli, R., Cantele, G., Ninno, D., Trani, F., Marsili, M., Pulci, O., Olevano, V., Gatti, M., Gaal-Nagy, K., Incze, A., and Onida, G., “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.

F. Sottile, “Introduction to Time Dependent Density Functional Theory”. Description Quantique de la Structure Electronique des Nanostructures et Matriaux Complexes. CNRS, La Grande Motte (France), 2008.

C. Kramberger, Hambach, R., Giorgetti, C., Ruemmeli, M. H., Knupfer, M., Fink, J., Buechner, B., Reining, L., Einarsson, E., Maruyama, S., Sottile, F., Hannewald, K., Olevano, V., Marinopoulos, A. - G., and Pichler, T., “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.

W. Welnic and Wuttig, M., “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.

D. Caliste, Pouillon, Y., Verstraete, M. J., Olevano, V., and Gonze, X., “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.

X. Gonze, Almbladh, C. - O., Cucca, A., Caliste, D., Freysoldt, C., Marques, M., Olevano, V., Pouillon, Y., and Verstraete, M. J., “Specification of an extensible and portable file format for electronic structure and crystallographic data”, Computational Materials Science, vol. 43. 2008.

M. Micoulaut, Weł{}nic, W., and Wuttig, M., “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.

M. Gatti, “Ab-Initio Calculations of Many body effects in electronic spectra”, Ecole Polytechnique, 2007.