Theoretical Spectroscopy Group

C. Rödl and Schleife, A., “Photoemission spectra and effective masses of n- and p-type oxide semiconductors from first principles: ZnO, CdO, SnO2, MnO, and NiO”, physica status solidi (a), vol. 211. pp. 74–81, 2014.

F. Bruneval and Gatti, M., “Quasiparticle Self-Consistent GW Method for the Spectral Properties of Co mplex Materials”, Topics in Current Chemistry, vol. 347. Springer Berlin Heidelberg, pp. 99-135, 2014.

J. A. Berger, Romaniello, P., Tandetzky, F., Mendoza, B. S., Brouder, C., and Reining, L., “Solution to the many-body problem in one point”, New Journal of Physics, vol. 16. p. 113025, 2014.

M. Gatti and Guzzo, M., “Dynamical screening in correlated metals: Spectral properties of SrVO3 in the GW approximation and beyond”, Phys. Rev. B, vol. 87. American Physical Society, p. 155147, 2013.

M. Gatti and Sottile, F., “Exciton dispersion from first principles”, Phys. Rev. B, vol. 88. American Physical Society, p. 155113, 2013.

P. Cudazzo, Gatti, M., Rubio, A., and Sottile, F., “Frenkel versus charge-transfer exciton dispersion in molecular crystals”, Phys. Rev. B, vol. 88. American Physical Society, p. 195152, 2013.

P. Cudazzo, Gatti, M., and Rubio, A., “Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides”, New Journal of Physics, vol. 15. p. 125005, 2013.

F. Roth, Cudazzo, P., Mahns, B., Gatti, M., Bauer, J., Hampel, S., Nohr, M., Berger, H., Knupfer, M., and Rubio, A., “Loss spectroscopy of molecular solids: combining experiment and theory”, New Journal of Physics, vol. 15. p. 125024, 2013.

L. Sponza, Veniard, V., Sottile, F., Giorgetti, C., and Reining, L., “Role of localized electrons in electron-hole interaction: The case of SrTiO3”, Phys. Rev. B, vol. 87. American Physical Society, p. 235102, 2013.

G. Lani, Romaniello, P., and Reining, L., “Approximations for many-body Green's functions: insights from the fundamental equations”, New Journal of Physics, vol. 14. p. 013056, 2012.

P. Romaniello, Bechstedt, F., and Reining, L., “Beyond the GW approximation: Combining correlation channels”, Phys. Rev. B, vol. 85. American Physical Society, p. 155131, 2012.

M. Amsler, Flores-Livas, J. A., Lehtovaara, L., Balima, F., Ghasemi, S. A., Machon, D., Pailhes, S., Willand, A., Caliste, D., Botti, S., Miguel, S. A., Goedecker, S., and Marques, M., “Crystal structure of cold compressed graphite”, Phys. Rev. Lett., vol. 108, 065501. 2012.

M. Guzzo, “Dynamical correlation in solids : a perspective in photoelectron spectroscopy”, Ecole Polytechnique, Palaiseau, 2012.

J. A. Berger, Reining, L., and Sottile, F., “Efficient calculation of the polarizability: a simplified effective-energy technique”, The European Physical Journal B, vol. 85. Springer-Verlag, pp. 1-10, 2012.

J. A. Berger, Reining, L., and Sottile, F., “Efficient GW calculations for SnO2, ZnO, and rubrene: The effective-energy technique”, Phys. Rev. B, vol. 85. American Physical Society, p. 085126, 2012.

C. Schuster, Gatti, M., and Rubio, A., “Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods”, EUROPEAN PHYSICAL JOURNAL B, vol. 85, 2012.

A. Y. Matsuura, Thrupp, N., Gonze, X., Pouillon, Y., Bruant, G., and Onida, G., “The ETSF: An e-Infrastructure That Bridges Simulations and Experiments”, Computing in Science & Engineering, vol. 14. 2012.

P. Cudazzo, Gatti, M., and Rubio, A., “Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene”, PHYSICAL REVIEW B, vol. 86, 2012.

L. Gutay, Regesch, D., Larsen, J. K., Aida, Y., Depredurand, V., Redinger, A., Caneva, S., Schorr, S., Stephan, C., Vidal, J., Botti, S., and Siebentritt, S., “Feedback mechanism for the stability of the band gap of CuInSe2”, Phys. Rev. B, vol. 86, 045216. 2012.

G. Miceli, Guzzo, M., Cucinotta, C., and Bernasconi, M., “First Principles Study of Hydrogen Desorption from the NaAlH4 Surface Doped by Ti Clusters”, JOURNAL OF PHYSICAL CHEMISTRY C, vol. 116, pp. 4311-4315, 2012.

J. A. Flores-Livas, Amsler, M., Lenosky, T. J., Lehtovaara, L., Botti, S., Marques, M., and Goedecker, S., “High-pressure structures of disilane and their superconducting properties”, Phys. Rev. Lett., vol. 108, 117004, 2012.

M. Palummo, Onida, G., and Reining, L., “In memoriam of Professor Rodolfo Del Sole”, physica status solidi (b), vol. 249. WILEY-VCH Verlag, pp. 1092–1094, 2012.

M. Bertocchi, Luppi, E., Degoli, E., Veniard, V., and Ossicini, S., “Large crystal local-field effects in second-harmonic generation of a Si/CaF${}_{2}$ interface: An \textit{ab initio} study”, Phys. Rev. B, vol. 86. American Physical Society, p. 035309, 2012.

F. Iori, Rodolakis, F., Gatti, M., Reining, L., Upton, M., Shvyd'ko, Y., Rueff, J. - P., and Marsi, M., “Low-energy excitations in strongly correlated materials: A theoretical and experimental study of the dynamic structure factor in V2O3”, Phys. Rev. B, vol. 86. American Physical Society, p. 205132, 2012.

S. Botti, Flores-Livas, J. A., Amsler, M., Goedecker, S., and Marques, M., “Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications”, Phys. Rev. B (Rapid Comm.), vol. 86, 121204. 2012.