Publications 2011
Years
These papers are ordered by article relevance.
- Design of effective kernels for spectroscopy and molecular transport: time-dependent current-density-functional theory
- Matteo Gatti
Journal of Chemical Physics 134, 084102 (2011) - Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine
- P.L. Cook, W. Yang, X. Liu, J.M. García-Lastra, A. Rubio, F.J. Himpsel
Journal of Chemical Physics 134, 204707 (2011) - Attosecond control of dissociative ionization of O2 molecules
- W Siu, F Kelkensberg, G Gademann, A Rouzee, P Johnsson, D Dowek, M Lucchini, F Calegari, U De Giovannini, A Rubio, R. Lucchese, H Kono, F Lepine, M J Vrakking
Physical Review A 84, 063412 (2011) - Quantum optimal control theory in the linear response formalism
- A. Castro, I. V. Tokatly
Physical Review A 84, 033410 (2011) - Reexamining the Lyman-Birge-Hopfield Band of N2
- J.A. Bradley, A. Sakko, G.T. Seidler, A. Rubio, M. Hakala, K. Hämäläinen, G. Cooper, A.P. Hitchcock, K. Schlimmer, K.P. Nagle
Physical Review A 84, 022510 (2011) - Charge-transfer in time-dependent density-functional theory via spin-symmetry-breaking
- Johanna I. Fuks, Angel Rubio, Neepa T. Maitra
Physical Review A 83, 042501 (2011) - Density functional theory beyond the linear regime: Validating an adiabatic local density approximation
- N. Helbig,J. I. Fuks, M. Casula, M. J. Verstraete, M. A. L. Marques, I. V. Tokatly,, A. Rubio
Physical Review A 83, 032503 (2011) - Problems in the Tanabe-Sugano approach for the interpretation of optical spectra: Study of Cr3+-doped fluorides and oxide
- A. Trueba, J. M. García-Lastra, P. García-Fernández, J. A. Aramburu, M. T. Barriuso, M. Moreno
Journal Of Physical Chemistry A 115, 13399 - 13399 (2011) - Spectrochemical Series and the Dependence of Racah and 10Dq Parameters on the Metal-Ligand Distance: Microscopic Origin
- A. Trueba, P. Garcia-Fernandez, J. M. García-Lastra, J.A. Aramburu, M.T. Barriuso, M. Moreno
Journal Of Physical Chemistry A 115, 1423 (2011) - A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde
- Veronica Leyva, Ines Corral, Ferran Feixas, Annapaola Migani, A, Lluis Blancafort, Jesus Gonzalez-Vazquez, Leticia Gonzalez
Physical Chemistry Chemical Physics 13, 14685 - 14693 (2011) - Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce3+ Sites
- Gloria Preda, Annapaola Migani, Konstantin M. Neyman, Stefan T. Bromley, Francesc Illas, Gianfranco Pacchioni
Journal Of Physical Chemistry C 115, 5817 - 5822 (2011) - Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces
- D. J. Mowbray, J. I. Martínez, F. Calle-Vallejo, J. Rossmeisl, K. S. Thygesen, K. W. Jacobsen, J. K. Nørskov
Journal Of Physical Chemistry C 115, 2244 - 2252 (2011) - Assessment of Dressed Time-Dependent Density-Functional Theory for the Low-Lying Valence States of 28 Organic Chromophores
- Miquel Huix-Rotllant, Andrei Ipatov, Angel Rubio, Mark Casida
Chemical Physics 391, 120 - 129 (2011) - A unified approach to the density-potential mapping in a family of time-dependent density functional theories
- I. V. Tokatly
Chemical Physics 391, 78 - 82 (2011) - Stochastic quantum molecular dynamics for finite and extended systems
- Heiko Appel, Massimiliano Di Ventra
Chemical Physics 391, 27 - 36 (2011)