Theoretical Spectroscopy Group

F. Bruneval, Sottile, F., Olevano, V., Del Sole, R., and Reining, L., “Many-body perturbation theory using the density-functional concept: Beyond the GW approximation”, Phys. Rev. Lett., vol. 94. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 186402, 2005.

M. Marques and Botti, S., “The planar-to-tubular structural transition in boron clusters from optical absorption”, JOURNAL OF CHEMICAL PHYSICS, vol. 123. AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, 2005.

J. Gaudin, Geoffroy, G., Guizard, S., Olevano, V., Esnouf, S., Klimentov, S. M., Pivovarov, P. A., Garnov, S. V., Martin, P. C., Belsky, A., and Petite, G., “Plasmon channels in the electronic relaxation of diamond under high-order harmonics femtosecond irradiation”, LASER PHYSICS LETTERS, vol. 2. WILEY-V C H VERLAG GMBH, PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY, pp. 292-296, 2005.

F. Sottile, Bruneval, F., Marinopoulos, A. - G., Dash, L. K., Botti, S., Olevano, V., Vast, N., Rubio, A., and Reining, L., “TDDFT from molecules to solids: The role of long-range interactions”, Int. J. of Quantum Chemistry, vol. 102. JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA, pp. 684-701, 2005.

S. Botti, Vast, N., Reining, L., Olevano, V., and Andreani, L. C., “Ab initio and semiempirical dielectric response of superlattices”, Phys. Rev. B, vol. 70. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

G. Satta, Cappellini, G., Olevano, V., and Reining, L., “Ab Initio Calculations for the Electronic Spectra of Cubic and Hexagonal Boron Nitride”, Mat. Res. Soc. Symp. Proc., vol. 829. 2004.

A. - G. Marinopoulos, Reining, L., Rubio, A., and Olevano, V., “Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite”, Phys. Rev. B, vol. 69. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

S. Botti, “Applications of time-dependent density functional theory”, PHYSICA SCRIPTA, vol. T109. IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND, pp. 54-60, 2004.

L. K. Dash, Vast, N., Baranek, P., Cheynet, M. C., and Reining, L., “Electronic structure and electron energy-loss spectroscopy of ZrO2 zirconia”, Phys. Rev. B, vol. 70. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

S. Botti, Sottile, F., Vast, N., Olevano, V., Reining, L., Weissker, H. - C., Rubio, A., Onida, G., Del Sole, R., and Godby, R. W., “Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory”, Phys. Rev. B, vol. 69. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

G. Satta, Cappellini, G., Olevano, V., and Reining, L., “Many-body effects in the electronic spectra of cubic boron nitride”, Phys. Rev. B, vol. 70. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2004.

A. - G. Marinopoulos, Wirtz, L., Marini, A., Olevano, V., Rubio, A., and Reining, L., “Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first-principles approach”, Applied Physics A, vol. 78. SPRINGER-VERLAG, 175 FIFTH AVE, NEW YORK, NY 10010 USA, pp. 1157-1167, 2004.

C. Hogan, Paget, D., Tereshchenko, O. E., Reining, L., and Onida, G., “Optical anisotropy induced by cesium adsorption on the As-rich c(2X8) reconstruction of GaAs(001)”, Phys. Rev. B, vol. 69. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 125332, 2004.

C. Hogan, Paget, D., Garreau, Y., Sauvage, M., Onida, G., Reining, L., Chiaradia, P., and Corradini, V., “Early stages of cesium adsorption on the As-rich c(2x8) reconstruction of GaAs(001): Adsorption sites and Cs-induced chemical bonds”, Phys. Rev. B, vol. 68. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 205313, 2003.

R. Del Sole, Adragna, G., Olevano, V., and Reining, L., “Long-range behavior and frequency dependence of exchange-correlation kernels in solids”, Phys. Rev. B, vol. 67. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2003.

F. Sottile, Karlsson, K., Reining, L., and Aryasetiawan, F., “Macroscopic and microscopic components of exchange-correlation interactions”, Phys. Rev. B, vol. 68. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2003.

L. Wirtz, Olevano, V., Marinopoulos, A. - G., Reining, L., and Rubio, A., “Optical absorption in small BN and C nanotubes”, Electronic Properties of Novel Materials: XVIIth International Winterschool, Ed. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World (2003)., Conference proceedings, vol. 685. pp. 406 - 410, 2003.

A. - G. Marinopoulos, Reining, L., Rubio, A., and Vast, N., “Optical and loss spectra of carbon nanotubes: Depolarization effects and intertube interactions”, Phys. Rev. Lett., vol. 91. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2003.

F. Sottile, Olevano, V., and Reining, L., “Parameter-free calculation of response functions in time-dependent density-functional theory”, Phys. Rev. Lett., vol. 91. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 056402, 2003.

S. Botti, Vast, N., Reining, L., Olevano, V., and Andreani, L. C., “Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices”, Phys. Rev. Lett., vol. 89. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2002.

A. - G. Marinopoulos, Reining, L., Olevano, V., Rubio, A., Pichler, T., Liu, X., Knupfer, M., and Fink, J., “Anisotropy and interplane interactions in the dielectric response of graphite”, Phys. Rev. Lett., vol. 89. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2002.

D. Paget, Pulci, O., Sauvage, M., Garreau, Y., Reining, L., Chiaradia, P., Bechstedt, F., and Pinchaux, R., “Do we understand the structure of the gallium-rich surface of GaAs(001)? Experimental and theoretical approaches”, Surface Review and Letters, vol. 9. WORLD SCIENTIFIC PUBL CO PTE LTD, JOURNAL DEPT PO BOX 128 FARRER ROAD, SINGAPORE 912805, SINGAPORE, pp. 1497-1510, 2002.

G. Onida, Reining, L., and Rubio, A., “Electronic excitations: density-functional versus many-body Green's-function approaches”, Reviews of Modern Physics, vol. 74. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, pp. 601-659, 2002.

L. Reining, Olevano, V., Rubio, A., and Onida, G., “Excitonic effects in solids described by time-dependent density-functional theory”, Phys. Rev. Lett., vol. 88. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2002.

N. Vast, Reining, L., Olevano, V., Schattschneider, P., and Jouffrey, B., “Local field effects in the electron energy loss spectra of rutile TiO2”, Phys. Rev. Lett., vol. 88. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 037601, 2002.