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2009 [LaTeX]

Books

Edited

1 - Time-dependent density-functional theory
M.A.L. Marques, and A. Rubio (guest editors)
Phys. Chem. Chem. Phys. 11, 4421-4688 (2009)

Papers

International Journals

2 - Density gradients for the exchange energy of electrons in two dimensions
S. Pittalis, E. Räsänen, J.G. Vilhena, and M.A.L. Marques
Phys. Rev. A 79, 012503 (2009)

3 - ABINIT: First-principles approach to material and nanosystem properties
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, and M.J.T. Oliveira et al
Computer Physics Communications 180, 2582-2615 (2009)

4 - Optical and magnetic properties of boron fullerenes
S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, and M.A.L. Marques
Phys. Chem. Chem. Phys. 11, 4523-4527 (2009)

5 - The challenge of predicting optical properties of biomolecules: pros and cons of time-dependent density-functional theory
A. Castro, M.A.L. Marques, D. Varsano, F. Sottile, and A. Rubio
C. R. Physique 10, 469-490 (2009)

6 - Photoabsorption Spectra of Small Cationic Xenon Clusters from Time-Dependent Density Functional Theory
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, and Angel Rubio
J. Chem. Phys. 131, 214302 (2009)

7 - Local atomic order and optical properties in amorphous and laser-crystallized GeTe
W. Welnic, M. Wuttig, S. Botti, and L. Reining
C.R. Physique 10, 514-527 (2009)

8 - Density-Matrix-Power Functional: Performance for Finite Systems and the Homogeneous Electron Gas
N.N. Lathiotakis, S. Sharma, J.K. Dewhurst, F.G. Eich, M.A.L. Marques, and E.K.U. Gross
Phys. Rev. A 79, 040501(R) (2009)

9 - Towards a gauge invariant method for molecular chiroptical properties in TDDFT
D. Varsano, L. A. Espinosa-Leal, X. Andrade, M.A.L. Marques, R. di Felice, and A. Rubio
Phys. Chem. Chem. Phys. 11, 4481-4489 (2009)

10 - Alloying effects on the optical properties of Ge1-xSix nanocrystals from TDDFT and comparison with effective-medium theory
S. Botti, H.-C. Weissker, and M.A.L. Marques
Phys. Rev. B 79, 155440 (2009)

Communications

Invited

11 - Electronic properties of materials for thin-film solar cells: Which ab initio approaches can we trust?
S. Botti
“French-American Young Engineering Scientists Symposium 2009”, Synchrotron Soleil, France, 16/11/2009 (2009)

12 - Electronic properties of CIGS materials for photovoltaic conversion: self-consistent GW calculations
S. Botti
Workshop “Computational Nanoscience for Renewable Energy Solutions”, Helsinki, Finland, 14/9/2009 (2009)

13 - libxc - a library of exchange and correlation functionals
M.A.L. Marques
ABINIT 2009 - 4th developer workshop, organized by P. Blaise et al., Autrans (France) 24-27/3/2009 (2009)

Poster

14 - Photoabsorption Spectra of Small Cationic Xenon Clusters from TDDFT
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, and Angel Rubio
6th NQ-ETSF Young Researchers Meeting Berlin, June 2-6 (2009)

Seminars

15 - Electronic properties of materials for solar cells: which ab initio approaches can we trust?
S. Botti
DIPC Seminars, San Sebastian, Spain, 19/6/2009 (2009)

Thesis

16 - Response Calculations within Time-Dependent Density Functional Theory
M.A.L. Marques
Habilitation à Diriger des Recherches, Université Claude Bernard - Lyon 1 (2009)

Other

17 - Editorial: Time-dependent density-functional theory
A. Rubio, and M.A.L. Marques
Phys. Chem. Chem. Phys. 11, 4436-4436 (2009)