2012
A. Schrön, Claudia Rödl, F. Bechstedt Crystalline and magnetic anisotropy of the 3d-transition metal monoxides MnO, FeO, CoO, and NiO Phys. Rev. B 86, 115134 (2012). Export BibTeX External Link.
A.Y. Matsuura, N. Thrupp, X Gonze, Y Pouillon, Ga Bruant, G Onida The ETSF: An e-Infrastructure That Bridges Simulations and Experiments Computing in Science \& Engineering 14, (2012). Export BibTeX External Link.
L. Gutay, D. Regesch, J.K. Larsen, Y. Aida, V. Depredurand, A. Redinger, S. Caneva, S. Schorr, C. Stephan, J. Vidal, Silvana Botti, S. Siebentritt Feedback mechanism for the stability of the band gap of CuInSe2 Phys. Rev. B 86, 045216, (2012). Export BibTeX External Link.
2011
I. Aguilera, J. Vidal, P. Wahnón, Lucia Reining, Silvana Botti First-principles study of the band structure and optical absorption of CuGaS2 Phys. Rev. B 84, 085145, (2011). Export BibTeX External Link.
J. Flores-Livas, R. Debord, Silvana Botti, A. San Miguel, M Marques, S Pailhes Enhancing the superconducting transition temperature of BaSi2 by structural tuning Phys. Rev. Lett. 106, 087002, (2011). Export BibTeX External Link.
M.J.T. Oliveira, Silvana Botti, M Marques Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations Phys. Chem. Chem. Phys. 13, 15055, (2011). Export BibTeX External Link.
M Marques, J. Vidal, M.J.T. Oliveira, Lucia Reining, Silvana Botti Density-based mixing parameter for hybrid functionals Phys. Rev. B 83, 035119 (2011). Export BibTeX
Matteo Guzzo, Giovanna Lani, Francesco Sottile, P. Romaniello, Matteo Gatti, J.J. Kas, John Rehr, Mathieu Silly, Fausto Sirotti, Lucia Reining Valence Electron Photoemission Spectrum of Semiconductors: Ab~Initio Description of Multiple Satellites Phys. Rev. Lett. 107, 166401 (2011). Export BibTeX External Link.
N. Bergeard, Mathieu Silly, D. Krizmancic, Christian Chauvet, Matteo Guzzo, J. Ricaud, M. Izquierdo, L. Stebel, P. Pittana, R. Sergo, G. Cautero, G. Dufour, F. Rochet, Fausto Sirotti Time-resolved photoelectron spectroscopy using synchrotron radiation time structure Journal of Synchrotron Radiation 18, 245\textendash250 (2011). Export BibTeX External Link.
J. Flores-Livas, R. Debord, Silvana Botti, A. San Miguel, S Pailhes, M Marques Superconductivity in Layered Binary Silicides: A density functional theory study Phys. Rev. B 84, 184503, (2011). Export BibTeX External Link.
Hannes Hübener Second-order response Bethe-Salpeter equation Phys. Rev. A 83, 062122 (2011). Export BibTeX External Link.
Simo Huotari, Marco Cazzaniga, Hans-Christian Weissker, Tuomas Pylkkänen, Harald Müller, Lucia Reining, G Onida, Giulio Monaco Dynamical response function in sodium studied by inelastic x-ray scattering spectroscopy Phys. Rev. B 84, 075108 (2011). Export BibTeX External Link.
Marco Cazzaniga, Hans-Christian Weissker, Simo Huotari, Tuomas Pylkkänen, Paolo Salvestrini, Giulio Monaco, G Onida, Lucia Reining Dynamical response function in sodium and aluminum from time-dependent density-functional theory Phys. Rev. B 84, 075109 (2011). Export BibTeX External Link.
Hannes Hübener, Eleonora Luppi, Valérie Véniard Ab initio calculation of many-body effects on the second-harmonic generation spectra of hexagonal SiC polytypes Phys. Rev. B 83, 115205 (2011). Export BibTeX
Silvana Botti, D. Kammerlander, M Marques Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods Appl. Phys. Lett. 98, 241915, (2011). Export BibTeX External Link.
Matteo Gatti Design of effective kernels for spectroscopy and molecular transport: Time-dependent current\textendashdensity-functional theory The Journal of Chemical Physics 134, 084102 (2011). Export BibTeX External Link.
Davide Sangalli, P. Romaniello, G Onida, Andrea Marini Double excitations in correlated systems: A many\textendashbody approach J. Chem. Phys. 134, 034115, (2011). Export BibTeX External Link.
Eleonora Luppi, Hannes Hübener, Matteo Bertocchi, Elena Degoli, Stefano Ossicini, Valérie Véniard Second-Harmonic Generation Spectroscopy from Time-dependent Density-Functional Theory MRS Spring Meeting Proceedings 1370, (2011). Export BibTeX External Link.
2010
S Raoux, W Welnic, D Ielmini Phase Change Materials and Their Application to Nonvolatile Memories Chem. Rev. 110, 240\textendash267 (2010). Export BibTeX
J Berger, Lucia Reining, Francesco Sottile Ab initio calculations of electronic excitations: Collapsing spectral sums Phys. Rev. B 82, 041103(R) (2010). Export BibTeX