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2007 [LaTeX]

Books

Chapters of Books

1 - Time-dependent electron localisation function: A tool to visualise and analyse ultrafast processes
A. Castro, T. Burnus, M.A.L. Marques, and E.K.U. Gross
in "Analysis and Control of Ultrafast Photoinduced Reactions", ed. by O. Kühn, L. Wöste, Springer Series in Chemical Physics Vol. 87, Springer, Heidelberg, 555-576 (2007)

Papers

International Journals

2 - Biexciton Stability in Carbon Nanotubes
D. Kammerlander, D. Prezzi, G. Goldoni, E. Molinari, and U. Hohenester
Phys. Rev. Lett. 99, 126806 (2007)

3 - Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons
M.A.L. Marques, A. Castro, G. Malloci, G. Mulas, and S. Botti
J. Chem. Phys. 127, 014107 (2007)

4 - Time-dependent density-functional theory for extended systems
S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining
Rep. Prog. Phys. 70, 357-407 (2007)

5 - Origin of the optical contrast in phase change materials
W. Welnic, S. Botti, L. Reining, and M. Wuttig
Phys. Rev. Lett. 98, 236403 (2007)

6 - Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations
S. Botti, and M.A.L. Marques
Phys. Rev. B 75, 035311 (2007)

7 - A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
X. Andrade, S. Botti, M.A.L. Marques, and A. Rubio
J. Chem. Phys. 126, 184106 (2007)

Proceedings

International Conferences

8 - Superconducting properties of MgB2 from first principles
A. Floris, A. Sanna, M. Luders, G. Profeta, N.N. Lathiotakis, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, and S. Massidda
Physica C 456, 45-53 (2007)

Communications

Invited

9 - The frequency dependent Sterheimer equation in TDDFT
M.A.L. Marques
Time-Dependent Density Functional Theory - Gordon Research Conference, C. Ullrich and K. Burke (chairs), Colby College, Maine, 15-20/7/2007 (2007)

10 - How do rewritable DVDs work? Optical properties of phase-change materials
S. Botti
Intensive training unit “Electronic excitations in materials and in nano-structures: theoretical methods, algorithms and computer tools”, Queens University of Belfast, UK, 26-28/6/2007 (2007)

11 - The frequency dependent Sterheimer equation in TDDFT
M.A.L. Marques
12th Nanoquanta Workshop on Electronic Excitations, organized by Valerio Olevano et al. Aussois, France, 18-22/07/2007 (2007)

12 - Applications of TDDFT for finite systems
M.A.L. Marques
Summer school on Ab-initio Many-Body Theory, organized by Angel Rubio, et al. San Sebastián, Spain, 22-29/07/2007 (2007)

Poster

13 - Functionals of the one-body reduced density matrix originating from the homogeneous electron gas
N.N. Lathiotakis, N. Helbig, M.A.L. Marques, A. Zacarias, S. Sharma, and E.K.U. Gross
12th International Conference on the Applications of Density Functional Theory, organized by A. Bencini, et al. Amsterdam, The Netherlands, 26-30/08/2007 (2007)

Other

14 - Extensible and portable file format for electronic structure and crystallographic data
X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M.A.L. Marques, V. Olevano, Y. Pouillon, and M.J. Verstraete
PsiK newsletter, Scientific Highlight of the Month, October (2007)