Theoretical Spectroscopy Group

M. Palummo, Hogan, C., Sottile, F., Bagala, P., and Rubio, A., “Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation”, The Journal of Chemical Physics, vol. 131. AIP, p. 084102, 2009.

G. Pegolotti, “Ab initio study of microscopic charge fluctuations in graphite”, vol. Master. Universita degli Studi di Milano-Bicocca, Milano, 2009.

S. Botti, Weissker, H. - C., and Marques, M., “Alloying effects on the optical properties of Ge1−xSix nanocrystals from time-dependent density functional theory and comparison with effective-medium theory”, Phys. Rev. B, vol. 79, 155440. 2009.

A. Castro, Marques, M., Varsano, D., Sottile, F., and Rubio, A., “The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory?”, Comptes Rendus de Physique, vol. 10. pp. 469-490, 2009.

P. Darancet, Olevano, V., and Mayou, D., “Coherent electronic trans- port through graphene constrictions: subwavelength regime and optical analogy”, Phys. Rev. Lett., 2009.

L. Reining, “Correlation in electronic excitations”. 14th International Workshop on Computational Physics and Materials Science, Trieste (Italy), 2009.

P. Romaniello, Sangalli, D., Berger, J. A., Sottile, F., Molinari, L. G., Reining, L., and Onida, G., “Double excitations in finite systems”, Journal of Chemical Physics, vol. 130. p. 044108, 2009.

M. Palummo, Iori, F., Del Sole, R., and Ossicini, S., “Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches”, Superlattices and Microstructures, vol. 46. pp. 234 - 239, 2009.

L. Reining, “Electronic Response − Theoretical Approaches and Link to Experiment”. Workshop Understanding Materials through Electron Microscopes − Realising the Potential, London (United Kingdom), 2009.

M. Guzzo, “Exchange and Correlation effects in the electronic properties of transition metal oxides: the example of NiO”, vol. Physics. Universita di Milano-Bicocca, Milan (Italy), p. 85, 2009.

L. Reining, “Insight and prediction of material properties from ab initio calculations of electronic excitations”. Symposium Ab−initio approaches to excitations in condensed matter at DPG spring meeting, Dresden (Germany), 2009.

L. Reining, “Insight and prediction of materials properties from ab initio calculations of electronic excitations”. OSI-VIII Optic of surfaces and interfaces VIII, 2009.

H. - C. Weissker, Hambach, R., Olevano, V., and Reining, L., “Interpolation between spectra satisfying sum rules”, Physical Review B, vol. 79. APS, p. 094102, 2009.

W. Wełnic, Wuttig, M., Botti, S., and Reining, L., “Local atomic order and optical properties in amorphous and laser-crystallized GeTe”, C.R. Physique, vol. 10. pp. 514-527, 2009.

L. Reining, “Many−Body Perturbation Theory: approaches and applications, limitations and good news”. KITP workshop From Basic Concepts to Real Materials, Santa Barbara (USA), 2009.

H. Hübener and Brandes, T., “Master equations for quantum transport with Franck-Condon blockade”, Phys. Rev. B, vol. 80. American Physical Society, p. 155437, 2009.

S. Botti, Castro, A., Lathiotakis, N. N., Andrade, X., and Marques, M., “Optical and magnetic properties of boron fullerenes”, Phys. Chem. Chem. Phys, vol. 11, Page 4523. 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.

M. Holzmann, Bernu, B., Olevano, V., Martin, R. M., and Ceperley, D. M., “Renormalization factor and effective mass of the two-dimensional electron gas”, Phys. Rev. B, 2009.

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.