Theoretical Spectroscopy Group

L. Reining and Sottile, F., “Time Dependent Density Functional Theory”. EXCITING, 2014.

L. Fernandez Seivane, Barron, H., Botti, S., Marques, M., Rubio, A., and López-Lozano, X., “Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires”, Journal of Materials Research, vol. 28. 2013.

I. Valitova, Amato, M., Mahvash, F., Cantele, G., Maffucci, A., Santato, C., Martel, R., and Cicoira, F., “Carbon nanotube electrodes in organic transistors”, Nanoscale, vol. 5. The Royal Society of Chemistry, pp. 4638-4646, 2013.

L. Sponza, “Damping, satellites and multiple excitations in oxides and nanostructures: efficient theoretical and numerical approaches towards a dynamical many-body theory”, Ecole Polytechnique, Palaiseau, 2013.

M. Gatti and Sottile, F., “Dispersion of bound excitons in insulators there and back again”. Frontiers in Modelling Optical Excitations of Materials, Mantra Lorne, Australia, 2013.

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.

F. Sottile, “Exciton dispersion in wide-gap insulators: there and back again”. GDR-CoDFT General Meeting, Lorient, France, 2013.

M. Bertocchi, “First principles Second-Harmonic Generation in quantum confined silicon-based systems”, Università degli Studi di Modena e Reggio Emilia/EcolePolytechnique, Modena/Palaiseau, 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. Wachsmuth, Hambach, R., Kinyanjui, M. K., Guzzo, M., Benner, G., and Kaiser, U., “High-energy collective electronic excitations in free-standing single-layer graphene”, Phys. Rev. B, vol. 88. American Physical Society, p. 075433, 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.

N. Tancogne-Dejean and Veniard, V., “Nonlinear optical properties of surfaces  : Extraction of the signal”. 10th ETSF Young Researchers' Meeting, 2013.

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), p. n/a–n/a, 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.

V. Veniard, “Second order harmonic generation from bulk, interfaces and surfaces : an ab initio study”. 2013.

U. Peyret and Reining, L., “Stage d'observation au laboratoire des solides irradiés”, 2013.

F. Sottile, “Theoretical Description of the Dielectric Function Complementarity with Experiments”. FEMMS 2013, Chicheley Hall, UK, 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.

A. Schrön, Rödl, C., and Bechstedt, F., “Crystalline and magnetic anisotropy of the 3d-transition metal monoxides MnO, FeO, CoO, and NiO”, Phys. Rev. B, vol. 86. American Physical Society, p. 115134, 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.