Theoretical Spectroscopy Group

S. Botti, Castro, A., Andrade, X., Rubio, A., and Marques, M., “Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces”, PHYSICAL REVIEW B, vol. 78, 035333. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2008.

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.

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.

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.

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.

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.

F. Bruneval, Botti, S., and Reining, L., “Comment on ``Quantum confinement and electronic properties of silicon nanowires{''}”, Phys. Rev. Lett., vol. 94. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2005.

S. Botti, Fourreau, A., Nguyen, F., Renault, Y. O., Sottile, F., and Reining, L., “Energy dependence of the exchange-correlation kernel of time-dependent density functional theory: A simple model for solids”, Phys. Rev. B, vol. 72. AMERICAN PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 125203, 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.

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.

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.

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.

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.

S. Botti and Andreani, L. C., “Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method”, Phys. Rev. B, vol. 63, 2353133. 2001.