Theoretical Spectroscopy Group

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.

P. O'Keeffe, Lopez-Martens, R., Mauritsson, J., Johansson, A., L'Huillier, A., Veniard, V., Taieb, R., Maquet, A., and Meyer, M., “Polarization effects in two-photon nonresonant ionization of argon with extreme-ultraviolet and infrared femtosecond pulses”, PHYSICAL REVIEW A, vol. 69, 2004.

M. van Faassen, Jensen, J., Berger, J. A., and de Boeij, P. L., “Size-scaling of the polarizability of tubular fullerenes investigated with time-dependent (current)-density-functional theory”, CHEMICAL PHYSICS LETTERS, vol. 395, pp. 274-278, 2004.

L. Reining, “TDDFT and Many-Boby Perturbation Theory: comparisons and combinations”. Workshop Theory and Modeling of Electronic Excitations in Nanoscience , Maratea (Italy), 2004.

L. Reining, “TDDFT and Many-Boby Perturbation Theory: comparisons and combinations”. Workshop and School Time-Dependent Density-Functional Theory: Prospects and Applications , Benasque (Spain), 2004.

C. Giorgetti, Dartyge, E., Baudelet, F., and Galera, R. M., “XMCD at the L-II,L-III edges of er in ErMn2, ErFe2, ErCo2, ErNi2, and ErAl2 laves phases and in Er-2(SO4)(3), 8H(2)0”, PHYSICAL REVIEW B, vol. 70, 2004.

M. G. Shelyapina, Morales, M., Bacmann, M., Baudelet, F., Fruchart, D., Giorgetti, C., Hill, E. K., Krill, G., Skryabina, N., and Wolfers, P., “X-ray magnetic circular dichroism study of the RMn12-xFex series with R = Y, Er and Lu”, JOURNAL OF ALLOYS AND COMPOUNDS, vol. 383, pp. 152-156, 2004.

M. G. Shelyapina, Morales, M., Bacmann, M., Baudelet, F., Fruchart, D., Giorgetti, C., Hlil, E. K., Krill, G., Skryabina, N., Wolfers, P., and Boller, H., “X-ray magnetic circular dichroism study of the RMn(12-x)Fex with R = Y, Er and Lu”, J. of Alloys and Compounds, vol. 383, pp. 152-156, 2004.

M. van Faassen, de Boeij, P. L., van Leeuwen, R., Berger, J. A., and Snijders, J. G., “Application of time-dependent current-density-functional theory to nonlocal exchange-correlation effects in polymers”, JOURNAL OF CHEMICAL PHYSICS, vol. 118, pp. 1044-1053, 2003.

R. Taieb, Veniard, V., and Maquet, A., “Atomic multiple ionization in ultra-strong laser fields”, JOURNAL OF MODERN OPTICS, vol. 50, pp. 365-373, 2003.

V. Veniard, Taieb, R., and Maquet, A., “Double ionization of excited helium states by an intense laser field: spin and dressing effects”, JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, vol. 36, pp. 4145-4154, 2003.

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.

L. Reining, “Electron-hole excitations in the quasiparticle and in the density-functional framework”. Workshop Computational Materials Science, Cagliari (Italy), 2003.

L. Reining, “Electron-hole excitations in the quasiparticle picture and in the density-functional framework”. XITH Int. Workshop of Computational Physics and Material Science, Trieste (Italy), 2003.

L. Reining, “Electron-hole excitations in the quasiparticle picture and in the density-functional framework”. Sanibel Symposium, University of Florida Quantum Theory Project (USA), 2003.

P. Romaniello, Aragoni, M. C., Arca, M., Cassano, T., Denotti, C., Devillanova, F. A., Isaia, F., Lelj, F., Lippolis, V., and Tommasi, R., “Ground and excited states of [M(H(2)timdt)(2)] neutral dithiolenes (M = Ni, Pd, Pt; H(2)timdt = monoanion of imidazolidine-2,4,5-trithione): Description within TDDFT and scalar relativistic (ZORA) approaches”, JOURNAL OF PHYSICAL CHEMISTRY A, vol. 107, pp. 9679-9687, 2003.

V. Paul-Boncour, Giorgetti, C., Wiesinger, G., and Percheron-Guegan, A., “Influence of deuterium absorption on structural and magnetic properties of ErFe2”, JOURNAL OF ALLOYS AND COMPOUNDS, vol. 356, pp. 195-199, 2003.

P. Romaniello and Lelj, F., “Limits in the second-order response of [M(H(2)imXdt) (H(2)imYdt)] neutral complexes (M = Ni, Pd, Pt; H(2)imXdt = monoanion of imidazolidine-2-chalcogenone-4,5-dithione; X = O, S, Se; Y = O, S, Se; X not equal Y): a pure theoretical study based on TD-DFT”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 636, pp. 23-37, 2003.

C. Train, Giorgetti, C., Baudelet, F., Champion, G., and Moulin, C. C. D., “Local remnant magnetisation evidenced by XMCD in an optically active oxalate-based magnet”, COMPTES RENDUS CHIMIE, vol. 6, pp. 337-342, 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.

M. C. Aragoni, Arca, M., Cassano, T., Denotti, C., Devillanova, F. A., Frau, R., Isaia, F., Lelj, F., Lippolis, V., Nitti, L., Romaniello, P., Tommasi, R., and Verani, G., “NIR dyes based on [M(R,R ` timdt)(2)] metal-dithiolenes: Additivity of M, R, and R ` contributions to tune the NIR absorption (M = Ni, Pd, Pt; R,R ` timdt = monoreduced form of disubstituted imidazolidine-2,4,5-trithione)”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, pp. 1939-1947, 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.