Theoretical Spectroscopy Group

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.

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.

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.

P. Romaniello and Lelj, F., “Optical non-linear properties of the [MXY] neutral mixed-ligand dithiolenes (M=Ni, Pd, Pt; X=R(2)timdt, dmit, mnt; Y=R(2)timdt, dmit, mnt; X=AY). The role of coordinated metal, substituents and of high lying excited states”, CHEMICAL PHYSICS LETTERS, vol. 372, pp. 51-58, 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.

V. Veniard, Taieb, R., and Maquet, A., “Photoionization of atoms using time-dependent density functional theory”, LASER PHYSICS, vol. 13, pp. 465-474, 2003.

T. Cassano, Tommasi, R., Nitti, L., Aragoni, M. C., Arca, M., Denotti, C., Devillanova, F. A., Isaia, F., Lippolis, V., Lelj, F., and Romaniello, P., “Picosecond absorption saturation dynamics in neutral [M(R,R ` timdt)(2)] metal-dithiolenes”, JOURNAL OF CHEMICAL PHYSICS, vol. 118, pp. 5995-6002, 2003.

R. Taieb, Veniard, V., Wassaf, J., and Maquet, A., “Roles of resonances and recollisions in strong-field atomic phenomena. II. High-order harmonic generation”, PHYSICAL REVIEW A, vol. 68, 2003.

J. Wassaf, Veniard, V., Taieb, R., and Maquet, A., “Roles of resonances and recollisions in strong-field atomic phenomena: Above-threshold ionization”, PHYSICAL REVIEW A, vol. 67, 2003.

J. Wassaf, Veniard, V., Taieb, R., and Maquet, A., “Strong field atomic ionization: Origin of high-energy structures in photoelectron spectra”, PHYSICAL REVIEW LETTERS, vol. 90, 2003.

G. Champion, Lalioti, N., Tangoulis, V., Arrio, M. A., Sainctavit, P., Villain, F., Caneschi, A., Gatteschi, D., Giorgetti, C., Baudelet, F., Verdaguer, M., and Moulin, C. C. D., “XMCD for monitoring exchange interactions. The role of the Gd 4f and 5d orbitals in metal-nitronyl nitroxide magnetic chains”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 125, pp. 8371-8376, 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.

V. Veniard, Taieb, R., and Maquet, A., “Atomic clusters submitted to an intense short laser pulse: A density-functional approach”, PHYSICAL REVIEW A, vol. 65, 2002.