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Journal Article (143)

2015
Journal Article
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
X. Andrade, D. A. Strubbe, U. De Giovannini, A. H. Larsen, M. J. T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M. A. L. Marques, A. Rubio
Physical Chemistry Chemical Physics 17 (47), 31371–31396 (2015)
Journal Article
Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space
Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015)
Journal Article
Optical field terahertz amplitude modulation by graphene nanoribbons
H. Zhang, Y. Miyamoto, X. Chengc, A. Rubio
Nanoscale 7 (45), 19012–19017 (2015)
Journal Article
Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?
J. Houmøller, M. Wanko, A. Rubio, S. B. Nielsen
The Journal of Physical Chemistry A 119 (47), 11498–11503 (2015)
Journal Article
Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes
M. B. M. Krishna, M. K. L. Man, S. Vinod, C. Chin, T. Harada, J. Taha-Tijerina, C. S. Tiwary, P. Nguyen, P. Chang, T. N. Narayanan, A. Rubio, P. M. Ajayan, S. Talapatra, K. M. Dani
Advanced Optical Materials 3 (11), 1551–1556 (2015)
Journal Article
Insights into colour-tuning of chlorophyll optical response in green plants
J. Jornet-Somoza, J. Alberdi-Rodriguez, B. F. Milne, X. Andrade, M. A. L. Marques, F. Nogueira, M. J. T. Oliveira, J. J. P. Stewart, A. Rubio
Physical Chemistry Chemical Physics 17 (40), 26599–26606 (2015)
Journal Article
The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions
M. H. Stockett, L. Musbat, C. Kjær, J. Houmøller, Y. Toker, A. Rubio, B. F. Milne, S. Brøndsted Nielsen
Physical Chemistry Chemical Physics 17 (39), 25793–25798 (2015)
Journal Article
Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory
C. Pellegrini, J. Flick, I. V. Tokatly, H. Appel, A. Rubio
Physical Review Letters 115 (9), 093001 (2015)
Journal Article
Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
I. Theophilou, N. N. Lathiotakis, N. I. Gidopoulos, A. Rubio, N. Helbig
The Journal of Chemical Physics 143 (5), 054106 (2015)
Journal Article
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
A. Castro, A. Rubio, E. K. U. Gross
European Physical Journal B 88 (8), 191 (2015)
Journal Article
Time-Dependent Thermal Transport Theory
R. Biele, R. D'Agosta, A. Rubio
Physical Review Letters 115 (5), 056801 (2015)
Journal Article
Comparing quasiparticle H2O level alignment on anatase and rutile TiO2
H. Sun, D. J. Mowbray, A. Migani, J. Zhao, H. Petek, A. Rubio
ACS Catalysis 5 (7), 4242–4254 (2015)
Journal Article
Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers
A. Varas, García-González Pablo, F. J. García-Vidal, A. Rubio
The Journal of Physical Chemistry Letters 6 (10), 1891–1898 (2015)
Journal Article
Conditional Born−Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
G. Albareda, J. M. Bofill, I. Tavernelli, Huarte-Larrañaga Fermin, F. Illas, A. Rubio
The Journal of Physical Chemistry Letters 6 (9), 1529–1535 (2015)
Journal Article
Design of two-photon molecular tandem architectures for solar cells by ab initio theory
K. B. Ørnsø, J. M. Garcia-Lastra, G. De La Torre, F. J. Himpsel, A. Rubio, K. S. Thygesen
Chemical Science 6 (5), 3018–3025 (2015)
Journal Article
Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation
M. Hellgren, F. Caruso, D. R. Rohr, X. Ren, A. Rubio, M. Scheffler, P. Rinke
Physical Review B 91 (16), 165110 (2015)
Journal Article
Exciton dispersion in molecular solids
P. Cudazzo, F. Sottile, A. Rubio, M. Gatti
Journal of Physics: Condensed Matter 27 (11), 113204 (2015)
Journal Article
Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser
Y. Miyamoto, H. Zhang, T. Miyazaki, A. Rubio
Physical Review Letters 114 (11), 116102 (2015)
Journal Article
Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries
U. De Giovannini, A. H. Larsen, A. Rubio
European Physical Journal B 88 (3), 56 (2015)
Journal Article
Unraveling the Intrinsic Color of Chlorophyll
B. F. Milne, Y. Toker, A. Rubio, S. B. Nielsen
Angewandte Chemie International Edition 54 (7), 2170–2173 (2015)
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