Theoretical Spectroscopy Group

S. Huotari, Cazzaniga, M., Weissker, H. - C., Pylkkänen, T., Müller, H., Reining, L., Onida, G., and Monaco, G., “Dynamical response function in sodium studied by inelastic x-ray scattering spectroscopy”, Phys. Rev. B, vol. 84. American Physical Society, p. 075108, 2011.

I. Aguilera, Vidal, J., Wahnón, P., Reining, L., and Botti, S., “First-principles study of the band structure and optical absorption of CuGaS2”, Phys. Rev. B, vol. 84, 085145. 2011.

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. Cazzaniga, Weissker, H. - C., Huotari, S., Pylkkanen, T., Monaco, G., Reining, L., and Onida, G., “The Dynamic Structure Factor of Simple Metals: A Study of the Electronic Correlation in Solids”, EPIOPTICS-10, Proceedings of the 43rd Course of the International School of Solid State Physics, vol. 1. 2010.

J. Vidal, Botti, S., Olsson, P., Guillemoles, J. - F., and Reining, L., “Strong Interplay between Structure and Electronic Properties in CuIn(S,Se)2: A First-Principles Study”, Phys. Rev. Lett., vol. 104. p. 056401, 2010.

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.

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.

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.

L. Reining, “Theoretical spectroscopy”, Comptes rendus physique, vol. Tome 10 N°6. 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.

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.

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.

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, 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. K. Dash, Bruneval, F., Trinite, V., Vast, N., and Reining, L., “Electronic excitations: Ab initio calculations of electronic spectra and application to zirconia ZrO2, titania TiO(2)and cuprous oxide Cu2O”, Comp. Mat. Science, vol. 38. ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 482-493, 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.

W. Welnic, Botti, S., Reining, L., and Wuttig, M., “Origin of the optical contrast in phase-change materials”, Phys. Rev. Lett., vol. 98. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 236403, 2007.

S. Botti, Schindlmayr, A., Del Sole, R., and Reining, L., “Time-dependent density-functional theory for extended systems”, Rep. Prog. Phys., vol. 70. IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND, pp. 357-407, 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.