Zeitschriftenartikel (349)

Validity of power functionals for a homogeneous electron gas in reduced-density-matrix-functional theory
A. Putaja, F. G. Eich, T. Baldsiefen, E. Räsänen
Physical Review A 93 (3), 032503 (2016)
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
Journal of Applied Physics 119 (7), 074307 (2016)
Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect
T. Brumme, M. Calandra, F. Mauri
Physical Review B 93 (8), 081407(R) (2016)
Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
Physical Review B 93 (7), 075153 (2016)
Photoinduced Absorption within Single-Walled Carbon Nanotube Systems
L. N. Glanzmann, D. J. Mowbray, D. G. F. del Valle, F. Scotognella, G. Lanzani, A. Rubio
The Journal of Physical Chemistry C 120 (3), 1926–1935 (2016)
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)
Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer
N. Säkkinen, Y. Peng, H. Appel, R. van Leeuwen
The Journal of Chemical Physics 143 (23), 234102 (2015)
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)
Optical field terahertz amplitude modulation by graphene nanoribbons
H. Zhang, Y. Miyamoto, X. Chengc, A. Rubio
Nanoscale 7 (45), 19012–19017 (2015)
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)
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)
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)
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)
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)
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)
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)
Time-Dependent Thermal Transport Theory
R. Biele, R. D'Agosta, A. Rubio
Physical Review Letters 115 (5), 056801 (2015)
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)
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)
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)
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