Theoretical Spectroscopy Group

J. Vidal, Botti, S., Olsson, P., Guillemoles, J. - F., and Reining, L., “Strong Interplay between Structure and Electronic Properties in CuIn(S,Se)2: A First-Principles Study”, Phys. Rev. Lett., vol. 104. p. 056401, 2010.

S. Botti, Weissker, H. - C., and Marques, M., “Alloying effects on the optical properties of Ge1−xSix nanocrystals from time-dependent density functional theory and comparison with effective-medium theory”, Phys. Rev. B, vol. 79, 155440. 2009.

W. Wełnic, Wuttig, M., Botti, S., and Reining, L., “Local atomic order and optical properties in amorphous and laser-crystallized GeTe”, C.R. Physique, vol. 10. pp. 514-527, 2009.

S. Botti, Castro, A., Lathiotakis, N. N., Andrade, X., and Marques, M., “Optical and magnetic properties of boron fullerenes”, Phys. Chem. Chem. Phys, vol. 11, Page 4523. 2009.

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, “Semi-empirical and ab-initio calculations of optical properties in semiconductor superlattices”, 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.