Theoretical Spectroscopy Group

L. Hung, Guedj, C., Bernier, N., Blaise, P., Olevano, V., and Sottile, F., “Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory”, Phys. Rev. B, vol. 93. American Physical Society, p. 165105, 2016.

C. Guedj, Hung, L., Zobelli, A., Blaise, P., Sottile, F., and Olevano, V., “Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory”, Applied Physics Letters, vol. 105. p. 222904, 2014.

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.

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

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. 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.

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.

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.

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.

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.

M. Gatti, Olevano, V., Reining, L., and Tokatly, I. V., “Transforming nonlocality into a frequency dependence: A shortcut to spectroscopy”, Phys. Rev. Lett., vol. 99. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.

M. Gatti, Bruneval, F., Olevano, V., and Reining, L., “Understanding correlations in vanadium dioxide from first principles”, Phys. Rev. Lett., vol. 99. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 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.

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.

X. Gonze, Rignanese, G. M., Verstraete, M. J., Beuken, J. M., Pouillon, Y., Caracas, R., Jollet, F., Torrent, M., Zerah, G., Mikami, M., Ghosez, P., Veithen, M., Raty, J. Y., Olevano, V., Bruneval, F., Reining, L., Godby, R. W., Onida, G., Hamann, D. R., and Allan, D. C., “A brief introduction to the ABINIT software package”, Zeitschift für Kristallographie, vol. 220. OLDENBOURG VERLAG, LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY, pp. 558-562, 2005.

F. Bruneval, Sottile, F., Olevano, V., Del Sole, R., and Reining, L., “Many-body perturbation theory using the density-functional concept: Beyond the GW approximation”, Phys. Rev. Lett., vol. 94. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 186402, 2005.

J. Gaudin, Geoffroy, G., Guizard, S., Olevano, V., Esnouf, S., Klimentov, S. M., Pivovarov, P. A., Garnov, S. V., Martin, P. C., Belsky, A., and Petite, G., “Plasmon channels in the electronic relaxation of diamond under high-order harmonics femtosecond irradiation”, LASER PHYSICS LETTERS, vol. 2. WILEY-V C H VERLAG GMBH, PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY, pp. 292-296, 2005.

F. Sottile, Bruneval, F., Marinopoulos, A. - G., Dash, L. K., Botti, S., Olevano, V., Vast, N., Rubio, A., and Reining, L., “TDDFT from molecules to solids: The role of long-range interactions”, Int. J. of Quantum Chemistry, vol. 102. JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA, pp. 684-701, 2005.

S. Botti, Vast, N., Reining, L., Olevano, V., and Andreani, L. C., “Ab initio and semiempirical dielectric response of superlattices”, Phys. Rev. B, vol. 70. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

G. Satta, Cappellini, G., Olevano, V., and Reining, L., “Ab Initio Calculations for the Electronic Spectra of Cubic and Hexagonal Boron Nitride”, Mat. Res. Soc. Symp. Proc., vol. 829. 2004.

A. - G. Marinopoulos, Reining, L., Rubio, A., and Olevano, V., “Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite”, Phys. Rev. B, vol. 69. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

S. Botti, Sottile, F., Vast, N., Olevano, V., Reining, L., Weissker, H. - C., Rubio, A., Onida, G., Del Sole, R., and Godby, R. W., “Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory”, Phys. Rev. B, vol. 69. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

G. Satta, Cappellini, G., Olevano, V., and Reining, L., “Many-body effects in the electronic spectra of cubic boron nitride”, Phys. Rev. B, vol. 70. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.