Theoretical Spectroscopy Group

M. Guzzo, Lani, G., Sottile, F., Romaniello, P., Gatti, M., Kas, J. J., Rehr, J. J., Silly, M. G., Sirotti, F., and Reining, L., “Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites”, Phys. Rev. Lett., vol. 107. American Physical Society, p. 166401, 2011.

J. A. Berger, Reining, L., and Sottile, F., “Ab initio calculations of electronic excitations: Collapsing spectral sums”, Phys. Rev. B, vol. 82. American Physical Society, p. 041103(R), 2010.

H. - C. Weissker, Serrano, J., Huotari, S., Luppi, E., Cazzaniga, M., Bruneval, F., Sottile, F., Monaco, G., Olevano, V., and Reining, L., “Dynamic structure factor and dielectric function of silicon for finite momentum transfer: Inelastic x-ray scattering experiments and ab initio calculations”, Phys. Rev. B, vol. 81. p. 085104, 2010.

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.

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. 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.

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.

R. Hambach, Giorgetti, C., Sottile, F., and Reining, L., “Spatial Resolution in Electron Energy-Loss Spectroscopy”. DPG Spring Meeting, Dresden (Germany), 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.

F. Sottile, “Ab Initio calculations of electronic excitations: Carbon Nanotubes and Graphene layer systems”. 11th Journées de la Matière Condensée, Strasbourg, France, 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.

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.

F. Sottile, “The Bethe Salpeter Equation in Bristol”. Psi-k Training Graduate School, Bristol (UK), 2007.

F. Sottile, Marsili, M., Olevano, V., and Reining, L., “Efficient ab initio calculations of bound and continuum excitons in the absorption spectra of semiconductors and insulators”, Phys. Rev. B, vol. 76. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 161103, 2007.

L. Caramella, Onida, G., Finocchi, F., Reining, L., and Sottile, F., “Optical properties of real surfaces: Local-field effects at oxidized Si(100)(2x2) computed with an efficient numerical scheme”, Phys. Rev. B, vol. 75. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.

F. Sottile, “TDDFT: Applications, limitations and .. new frontiers”. LESS 2007, Vienna, Austria, 2007.

F. Sottile, “Time Dependent Density Functional Theory and Bethe- Salpeter Equation.”. Queen's University Belfast, United Kingdom, 2007.

F. Sottile, “Time Dependent Density Functional Theory. Application to Extended Systems”. Nanoquanta Young Researchers' Meeting, San Sebastián, Spain, 2007.

F. Bruneval, Sottile, F., Olevano, V., and Reining, L., “Beyond time-dependent exact exchange: The need for long-range correlation”, J. Chem. Phys., vol. 124. AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, p. 144113, 2006.

F. Sottile, “A personal view on Time Dependent Density Functional Theory”. Electronic Structure Calculations and Correlated Materials, Les Houches (France), 2006.

H. - C. Weissker, Serrano, J., Huotari, S., Bruneval, F., Sottile, F., Monaco, G., Krisch, M., Olevano, V., and Reining, L., “Signatures of short-range many-body effects in the dielectric function of silicon for finite momentum transfer”, Phys. Rev. Lett., vol. 97. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 237602, 2006.

O. Pulci, Marsili, M., Luppi, E., Hogan, C., Garbuio, V., Sottile, F., Magri, R., and Del Sole, R., “Electronic excitations in solids: Density functional and Green's function theory”, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol. 242. pp. 2737-2750, 2005.

S. Botti, Fourreau, A., Nguyen, F., Renault, Y. O., Sottile, F., and Reining, L., “Energy dependence of the exchange-correlation kernel of time-dependent density functional theory: A simple model for solids”, Phys. Rev. B, vol. 72. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 125203, 2005.