Found 526 results
2008
S. Ossicini, Bisi, O., Degoli, E., Marri, I., Iori, F., Luppi, E., Magri, R., Poli, R., Cantele, G., Ninno, D., Trani, F., Marsili, M., Pulci, O., Olevano, V., Gatti, M., Gaal-Nagy, K., Incze, A., and Onida, G., First-principles study of silicon nanocrystals: Structural and electronic properties, absorption, emission, and doping, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, vol. 8. pp. 479-492, 2008.
L. Reining, Insight and prediction of material properties from ab initio calculations of electronic excitations. Second International Symposium on Structure-Property Relationships in Solid State Materials, Nantes (France), 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.
W. Welnic and Wuttig, M., Reversible switching in phase-change materials, MATERIALS TODAY, vol. 11. ELSEVIER SCI LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND, pp. 20-27, 2008.
D. Caliste, Pouillon, Y., Verstraete, M. J., Olevano, V., and Gonze, X., Sharing electronic structure and crystallographic data with ETSF_IO, COMPUTER PHYSICS COMMUNICATIONS, vol. 179. ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 748-758, 2008.
X. Gonze, Almbladh, C. - O., Cucca, A., Caliste, D., Freysoldt, C., Marques, M., Olevano, V., Pouillon, Y., and Verstraete, M. J., Specification of an extensible and portable file format for electronic structure and crystallographic data, Computational Materials Science, vol. 43. 2008.
M. Micoulaut, Weł{}nic, W., and Wuttig, M., Structure of the liquid and the crystal of the phase-change material $SnSe_{2}$ : First-principles molecular dynamics, Phys. Rev. B, vol. 78. American Physical Society, p. 224209, 2008.
2007
M. Gatti, Ab-Initio Calculations of Many body effects in electronic spectra, Ecole Polytechnique, 2007.
M. Palummo, Bruno, M., Pulci, O., Luppi, E., Degoli, E., Ossicini, S., and Del Sole, R., Ab-initio electronic and optical properties of low dimensional systems: From single particle to many-body approaches, SURFACE SCIENCE, vol. 601. ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 2696-2701, 2007.
J. A. Berger, de Boeij, P. L., and van Leeuwen, R., Analysis of the Vignale-Kohn current functional in the calculation of the optical spectra of semiconductors, PHYSICAL REVIEW B, vol. 75, 2007.
V. Briois, Giorgetti, C., Baudelet, F., Blanchandin, S., Tokumoto, M. S., Pulcinelli, S. H., and Santilli, C. V., Dynamical study of ZnO nanocrystal and Zn-HDS layered basic zinc acetate formation from sol-gel route, JOURNAL OF PHYSICAL CHEMISTRY C, vol. 111, pp. 3253-3258, 2007.
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.
M. Marques, Castro, A., Malloci, G., Mulas, G., and Botti, S., Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbons, JOURNAL OF CHEMICAL PHYSICS, vol. 127. AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, 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. Reining, Electronic response: theoretical approaches and link to experiment. SFB (German research fund) in semi-conductor physics meeting, Würzburg (Germany), 2007.
F. Iori, Degoli, E., Magri, R., Marri, I., Cantele, G., Ninno, D., Trani, F., Pulci, O., and Ossicini, S., Engineering silicon nanocrystals: Theoretical study of the effect of codoping with boron and phosphorus, PHYSICAL REVIEW B, vol. 76. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.
F. Iori, Engineering Silicon Nanostructures: theoretical study of the effects of doping with Boron and Phosphorus, UNIVERSITA DEGLI STUDI DI MODENA E REGGIO EMILIA, Modena, 2007.
L. Reining, How to combine the reliability of manybody perturbation theory and the efficiency of TDDFT? Context, possibilities and applications. deMon developpers meeting, Paris (France), 2007.
L. Reining, How to get just the information you want - from many-body perturbation theory to timedependent density functional theory, and other shortcuts. Gordon Research Conference on Time-Dependent Density-Functional Theory, Waterville (USA), 2007.
S. Botti and Marques, M., Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations, PHYSICAL REVIEW B, vol. 75. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.
L. Reining, Many-Body Perturbation Theory and Density-Functional based approaches: successful combinations. DFT2007 conference on the Theory and Applications of DFT, Amsterdam (Netherlands), 2007.
L. Reining, Many-Body Perturbation Theory and Density-Functional based approaches: successful combinations. APS March meeting, Denver (USA), 2007.
L. Reining, Many-Body Perturbation Theory and Density-Functional based approaches: successful combinations. Third International Workshop on DFT applied to metals and alloys, Oran (Algeria), 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.

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