Found 206 results
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2011
H. Hübener, Luppi, E., and Véniard, V., Ab initio calculation of many-body effects on the second-harmonic generation spectra of hexagonal SiC polytypes, Phys. Rev. B, vol. 83. American Physical Society, p. 115205, 2011.
S. Botti, Kammerlander, D., and Marques, M., Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods, Appl. Phys. Lett., vol. 98, 241915. 2011.
M. Marques, Vidal, J., Oliveira, M. J. T., Reining, L., and Botti, S., Density-based mixing parameter for hybrid functionals, Phys. Rev. B, vol. 83. American Physical Society, p. 035119, 2011.
M. Gatti, Design of effective kernels for spectroscopy and molecular transport: Time-dependent current–density-functional theory, The Journal of Chemical Physics, vol. 134. AIP, p. 084102, 2011.
D. Sangalli, Romaniello, P., Onida, G., and Marini, A., Double excitations in correlated systems: A many–body approach, J. Chem. Phys. , vol. 134, 034115. 2011.
M. Cazzaniga, Weissker, H. - C., Huotari, S., Pylkkänen, T., Salvestrini, P., Monaco, G., Onida, G., and Reining, L., Dynamical response function in sodium and aluminum from time-dependent density-functional theory, Phys. Rev. B, vol. 84. American Physical Society, p. 075109, 2011.
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.
J. A. Flores-Livas, Debord, R., Botti, S., Miguel, S. A., Marques, M., and Pailhes, S., Enhancing the superconducting transition temperature of BaSi2 by structural tuning, Phys. Rev. Lett., vol. 106, 087002. 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. J. T. Oliveira, Botti, S., and Marques, M., Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations, Phys. Chem. Chem. Phys., vol. 13, 15055. 2011.
E. Luppi, Hübener, H., Bertocchi, M., Degoli, E., Ossicini, S., and Véniard, V., Second-Harmonic Generation Spectroscopy from Time-dependent Density-Functional Theory, MRS Spring Meeting Proceedings, vol. 1370. 2011.
H. Hübener, Second-order response Bethe-Salpeter equation, Phys. Rev. A, vol. 83. American Physical Society, p. 062122, 2011.
J. A. Flores-Livas, Debord, R., Botti, S., Miguel, A. S., Pailhes, S., and Marques, M., Superconductivity in Layered Binary Silicides: A density functional theory study, Phys. Rev. B, vol. 84, 184503. 2011.
N. Bergeard, Silly, M. G., Krizmancic, D., Chauvet, C., Guzzo, M., Ricaud, J. P., Izquierdo, M., Stebel, L., Pittana, P., Sergo, R., Cautero, G., Dufour, G., Rochet, F., and Sirotti, F., Time-resolved photoelectron spectroscopy using synchrotron radiation time structure, Journal of Synchrotron Radiation, vol. 18. pp. 245–250, 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.
2010
H. Hübener, Luppi, E., and Véniard, V., Ab initio calculation of second harmonic generation in solids, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol. 247. pp. 1984-1991, 2010.
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.
E. Luppi, Hübener, H., and Véniard, V., Ab initio second-order nonlinear optics in solids: second harmonic generation spectroscopy from Time-Dependent Functional Theory, PHYSICAL REVIEW B, vol. 82. 2010.
F. Trani, Vidal, J., Botti, S., and Marques, M., Band structures of delafossite transparent conductive oxides from a self-consistent GW approach, Phys. Rev. B, vol. 82, 085115. 2010.
E. Luppi, Hübener, H., and Véniard, V., Communications: Ab initio second-order nonlinear optics in solids, JOURNAL OF CHEMICAL PHYSICS, vol. 132. 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, Trani, F., Bruneval, F., Marques, M., and Botti, S., Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides, Phys. Rev. Lett., vol. 104, 136401. 2010.
O. Pulci, Degoli, E., Iori, F., Marsili, M., Palummo, M., Del Sole, R., and Ossicini, S., Electronic and optical properties of Si and Ge nanocrystals: An ab initio study, Superlattices and Microstructures, vol. 47. pp. 178 - 181, 2010.

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