Found 526 results
2007
W. Welnic, Kalb, J. A., Wamwangi, D., Steimer, C., and Wuttig, M., Phase change materials: From structures to kinetics, JOURNAL OF MATERIALS RESEARCH, vol. 22. MATERIALS RESEARCH SOCIETY, 506 KEYSTONE DR, WARRENDALE, PA 15086 USA, pp. 2368-2375, 2007.
P. Romaniello and de Boeij, P. L., Relativistic two-component formulation of time-dependent current-density functional theory: Application to the linear response of solids, JOURNAL OF CHEMICAL PHYSICS, vol. 127, 2007.
P. Romaniello, Lelj, F., Arca, M., and Devillanova, F. A., Structural and new spectroscopic properties of neutral [M(dmit)(2)](dmit = (CS52-)-S-3, 1,3-dithiole-2-thione-4,5-dithiolate) and [M(H(2)timdt)(2)](H(2)timdt = H2C3N2S31-, monoanion of imidazolidine-2,4,5-trithione) complexes within the density functional, THEORETICAL CHEMISTRY ACCOUNTS, vol. 117, pp. 621-635, 2007.
F. Sottile, TDDFT: Applications, limitations and .. new frontiers. LESS 2007, Vienna, Austria, 2007.
F. Sottile, Time Dependent Density Functional Theory and Bethe- Salpeter Equation.. Queen's University Belfast, United Kingdom, 2007.
F. Sottile, Time Dependent Density Functional Theory. Application to Extended Systems. Nanoquanta Young Researchers' Meeting, San Sebastián, Spain, 2007.
X. Andrade, Botti, S., Marques, M., and Rubio, A., Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities, JOURNAL OF CHEMICAL PHYSICS, vol. 126. AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, 2007.
S. Botti, Schindlmayr, A., Del Sole, R., and Reining, L., Time-dependent density-functional theory for extended systems, Rep. Prog. Phys., vol. 70. IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND, pp. 357-407, 2007.
M. Gatti, Olevano, V., Reining, L., and Tokatly, I. V., Transforming nonlocality into a frequency dependence: A shortcut to spectroscopy, Phys. Rev. Lett., vol. 99. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.
M. Gatti, Bruneval, F., Olevano, V., and Reining, L., Understanding correlations in vanadium dioxide from first principles, Phys. Rev. Lett., vol. 99. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2007.
2006
M. Palummo, Pulci, O., Marini, A., Reining, L., and Del Sole, R., Ab initio calculation of many-body effects on the EEL spectrum of the C(100) surface, Phys. Rev. B, vol. 74. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2006.
V. Garbuio, Cascella, M., Reining, L., Del Sole, R., and Pulci, O., Ab initio calculation of optical spectra of liquids: Many-body effects in the electronic excitations of water, Phys. Rev. Lett., vol. 97. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2006.
L. Ponce, Taieb, R., Veniard, V., and Maquet, A., Attosecond-scale dynamics in ion-atom collision versus laser-atom interaction, JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, vol. 39. IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND, pp. 4985-4998, 2006.
L. Ponce, Taieb, R., Veniard, V., and Maquet, A., Attosecond-scale dynamics in ion-atom collision versus laser-atom interaction, JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, vol. 39, pp. 4985-4998, 2006.
L. Reining, Beyond the GW approximation. International Workshop on First Principles Calculation of Correlated Electrons, Tokyo (Japan), 2006.
L. Reining, Beyond the GW approximation. Workshop Recent developments in computational electronic structure, Cambridge (United Kingdom), 2006.
L. Reining, Beyond the GW approximation. Workshop First principles approaches to optical and photoelectron spectra, München (Germany), 2006.
F. Bruneval, Sottile, F., Olevano, V., and Reining, L., Beyond time-dependent exact exchange: The need for long-range correlation, J. Chem. Phys., vol. 124. AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, p. 144113, 2006.
F. Bruneval, Vast, N., and Reining, L., Effect of self-consistency on quasiparticles in solids, Phys. Rev. B, vol. 74. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2006.
X. Lopez-Lozano, Pérez, L. A., and Garzón, I. L., Enantiospecific Adsorption of Chiral Molecules on Chiral Gold Clusters, Physical Review Letters, vol. 97. p. 233401, 2006.
F. Bruneval, Vast, N., Reining, L., Izquierdo, M., Sirotti, F., and Barrett, N., Exchange and correlation effects in electronic excitations of Cu2O, Phys. Rev. Lett., vol. 97. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 267601, 2006.
H. Vach, Brulin, Q., Chaabane, N., Novikova, T., Cabarrocas, P. R. I., Kalache, B., Hassouni, K., Botti, S., and Reining, L., Growth dynamics of hydrogenated silicon nanoparticles under realistic conditions of a plasma reactor, Comp. Mat. Science, vol. 35. CNRS; Univ Paul Sabatier; French Minist Educ & Res; Commissariat Energie Atom; Conseil Reg Midi Pyrenees; Mairie Toulouse; Conseil Reg Haute Garonne; Lab Phys Quant, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 216-222, 2006.
V. Veniard, Highlights and challenges in strong fields atomic and molecular processes, Time-dependent functional theory, LECTURES NOTES IN PHYSICS, p. 377, 2006.
V. Briois, Giorgetti, C., Dartyge, E., Baudelet, F., Tokumoto, M. S., Pulcinelli, S. H., and Santilli, C. V., In situ and simultaneous nanostructural and spectroscopic studies of ZnO nanoparticle and Zn-HDS formations from hydrolysis of ethanolic zinc acetate solutions induced by water, Journal of Sol-Gel Science and Technology, vol. 39, pp. 25-36, 2006.
L. Reining, The inverse dielectric function - theoretical approaches and contributions to theory from experiment. DFTEM 2006, Vienna (Austria), 2006.

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