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2005 [LaTeX]
Books
Chapters of Books
1 - Density-Functional Theory
S. Kurth, M.A.L. Marques, and E.K.U. Gross
in Encyclopedia of Condensed Matter Physics, ed. by F. Bassani, J. Liedl, and P. Wyder (Elsevier), 395-402 (2005)
Papers
International Journals
2 - The planar-to-tubular structural transition in boron clusters from optical absorption
M.A.L. Marques and S. Botti
J. Chem. Phys. 123, 014310 (2005)
3 - Time-dependent electron localization function
T. Burnus, M.A.L. Marques, and E.K.U. Gross
Phys. Rev. A (Rap. Comm.) 71, 10501 (2005)
4 - Optical Absorption of the Blue Fluorescent Protein: a First Principles Study
X. Lopez, M.A.L. Marques, A. Castro, and A. Rubio
J. Am. Chem. Soc. 127, 12329-12337 (2005)
5 - Energy dependence of the exchange-correlation kernel of time-dependent density functional theory
S. Botti, A. Fourreau, F. Nguyen, Y-O. Renault, F. Sottile, and L. Reining
Phys. Rev. B 72, 125203 (2005)
6 - TDDFT from molecules to solids: the role of long-range interactions
F. Sottile, F. Bruneval, A. G. Marinopoulos, L. K. Dash, S. Botti, V. Olevano, N. Vast, A. Rubio, and L. Reining
Int. J. Quantum Chem. 102, 684 (2005)
7 - Comment on quantum confinement and electronic properties of silicon nanowires
F. Bruneval, S. Botti, and L. Reining
Phys. Rev. Lett. 94, 219701 (2005)
8 - Superconducting properties of MgB2 from first principles
A. Floris, G. Profeta, N.N. Lathiotakis, M. Lueders, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, S. Massidda
Phys. Rev. Lett. 94, 37004 (2005)
9 - Ab-initio theory of superconductivity -- II: Application to elemental metals
M.A.L. Marques, M. Lüders, N.N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E.K.U. Gross, S. Massidda
Phys. Rev. B 72, 024546 (2005)
10 - Ab-initio theory of superconductivity -- I: Density functional formalism and approximate functionals
M. Lüders, M.A.L. Marques, N.N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, E.K.U. Gross
Phys. Rev. B 72, 024545 (2005)
11 - A viable way to tailor carbon nanomaterials by irradiation-induced transformations
R. Caudillo, H.E. Troiani, M. Miki-Yoshida, M.A.L. Marques, A. Rubio, M.J. Yacaman
Rad. Phys. Chem. 73, 334-339 (2005)
Proceedings
International Conferences
12 - Ab-initio Computation of Superconducting Properties of Elemental Superconductors and MgB2
A. Continenza, G. Profeta, A. Floris, C. Franchini, S. Massidda, N.N. Lathiotakis, M.A.L. Marques, M. Lüders, E.K.U. Gross
Journal of Superconductivity 18, 649-652 (2005)
Communications
Invited
13 - Absorption spectra of biological systems from TDDFT
M.A.L. Marques
Mini-workshop on TDDFT, organized by F. Nogueira. Departamento de Física da Universidade de Coimbra, Portugal, 6/5/2005 (2005)
14 - Absorption spectra of biological systems from TDDFT
M.A.L. Marques
Psi-k Conference 2005, organized by R. Nieminen et al. Schwäbisch Gmünd, Germany. 17-21/09/2005 (2005)
15 - TDDFT from clusters to solids
S. Botti
Mini-workshop TDDFT, Coimbra, Portugal, 6/5/2005 (2005)
16 - Effets de la taille sur les propriétés des nano-particules
S. Botti
Atelier synthèse et traitement de nano-particules par plasmas basse pression, Gif sur Yvette, France, 22/11/2005 (2005)
Oral
17 - The physics of CdSe nanocrystals: structural and optical properties from ab initio
S. Botti
Psi_k Confernce 2005, Schwäbisch Gmünd, Germany, 21/09/2005 (2005)
18 - Théorie de la fonctionnelle de la densité pour les supraconducteurs
M.A.L. Marques
GDR-DFT - Fonctionnelle de la densité: de la molécule aux matériaux et systèmes complexes (2005)
Poster
19 - Absorption spectra of fluorescent proteins using TDDFT
M.A.L. Marques, Xabier Lopez, Alberto Castro, Angel Rubio
GDR-DFT - Fonctionnelle de la densité: de la molécule aux matériaux et systèmes complexes (2005)