Prof. Angel Rubio - Publications

Years

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These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Many body effects in the excitation spectrum of a defect in SiC
M. Bockstedte, A. Marini, O. Pankratov, A. Rubio
Physical Review Letters 105, 026401 (2010)
First-Principles Simulations of Chemical Reactions in an HCl Molecule Embedded inside a C or BN Nanotube Induced by Ultrafast Laser Pulses
Y. Miyamoto, H. Zhang, A. Rubio
Physical Review Letters 105, 248301 (2010)
Sodium: a charge-transfer insulator at high pressures
M. Gatti, I. Tokatly, A. Rubio
Physical Review Letters 104, 216404 (2010)
Strong charge-transfer excitonic effects and Bose-Einstein exciton-condensate in graphane
P. Cudazzo, C. Attaccalite, I.V. Tokatly, A. Rubio
Physical Review Letters 104, 226804 (2010)
Ab Initio Molecular Dynamics on the Electronic Boltzmann Equilibrium Distribution
J.L. Alonso, A. Castro, P. Echenique, V. Polo, A. Rubio, D. Zueco
New Journal Of Physics 12, 083064 (2010)
Electronic properties of molecular solids: the peculiar case of solid Picene
Friedrich Roth, Matteo Gatti, Pierluigi Cudazzo, Mandy Grobosch, Benjamin Mahns, Bernd Büchner, Angel Rubio, Martin Knupfer
New Journal Of Physics 12, 103036 (2010)
Doping carbon nanotubes with Nitrogen and their potential applications
P. Ayala, R. Arenal, Mark H. Rümmeli, A. Rubio, T. Pichler
Carbon 3, 575 - 586 (2010)
Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases
Letizia Chiodo, Juan Maria García-Lastra, Amilcare Iacomino, Stefano Ossicini, Jin Zhao, Hrvoje Petek, Angel Rubio
Physical Review B 82, 045207 (2010)
Combined experimental and ab initio study of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality
K. De Blauwe, D. J. Mowbray, Y. Miyata, P. Ayala, H. Shiozawa, A. Rubio, P. Hoffmann, H. Kataura, T. Pichler
Physical Review B 82, 125444 (2010)
Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes
J. M. García-Lastra, D.J. Mowbray, K. S. Thygesen, A. Rubio, K.W. Jacobsen
Physical Review B 81, 245429 (2010)
Double Bond versus Triple Bond Bridges – Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores?
Maj-Britt Suhr Kirketerp, Michael Åxman Petersen, Marius Wanko, Henning Zettergren, Angel Rubio, Mogens Brøndsted Nielsen, Steen Brøndsted Nielsen
Chemphyschem 11, 2495 - 2498 (2010)
Physical meaning of the natural orbitals: Analysis of exactly solvable models
N. Helbig, I.V. Tokatly, A. Rubio
Physical Review A 81, 022504 (2010)
Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, J.J. Rehr
Journal of Chemical Physics 133, 034111 (2010)
Systematic shifts of the LUMO peak in x-ray absorption for a series of 3d metal porphyrins
J.M. García-Lastra, P. L. Cook, F. J. Himpsel, A. Rubio
Journal of Chemical Physics 133, 151103 (2010)
Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
A. Sakko, A. Rubio , M. Hakala , K. Hämäläinen
Journal of Chemical Physics 133, 174111 (2010)