Publications of Angel Rubio

Rubio, A.: Pressure induced phase transition in correlated oxides and simple metals: Mott and charge-transfer insulators. Journal of Physics: Conference Series 950, 032003 (2017).

Lubasch, M., J.I. Fuks, H. Appel, A. Rubio, J.I. Cirac and M.-C. Bañuls: Systematic construction of density functionals based on matrix product state computations. New Journal of Physics 18 (8), 083039 (2016).

Dimitrov, T., H. Appel, J.I. Fuks and A. Rubio: Exact maps in density functional theory for lattice models. New Journal of Physics 18 (8), 083004 (2016).

Casadei, M., X. Ren, P. Rinke, A. Rubio and M. Scheffler: 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).

Flick, J., M. Ruggenthaler, H. Appel and A. Rubio: 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 USA 112 (50), 15285–15290 (2015).

Pellegrini, C., J. Flick, I.V. Tokatly, H. Appel and A. Rubio: Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters 115 (9), 093001 (2015).

Hellgren, M., F. Caruso, D.R. Rohr, X. Ren, A. Rubio, M. Scheffler and P. Rinke: Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation. Physical Review B 91 (16), 165110 (2015).

Malic, E., H. Appel, O.T. Hofmann and A. Rubio: Energy transfer in porphyrin-functionalized graphene. Physica Status Solidi B 251 (12), 2495–2498 (2014).

Wegkamp, D., M. Herzog, L. Xian, M. Gatti, P. Cudazzo, C.L. McGahan, R.E. Marvel, R.F. Haglund, A. Rubio, M. Wolf and J. Stähler: Instantaneous Band Gap Collapse in Photoexcited Monoclinic VO₂ due to Photocarrier Doping. Physical Review Letters 113 (21), 216401 (2014).

Cudazzo, P., M. Gatti and A. Rubio: Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of 1T and 2H polymorphs. Physical Review B 90 (20), 205128 (2014).

Dávila, M.E., L. Xian, S. Cahangirov, A. Rubio and G. Le Lay: Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene. New Journal of Physics 16 (9), 095002 (2014).

Sarmiento-Pérez, R., S. Botti, C.S. Schnohr, I. Lauermann, A. Rubio and B. Johnson: Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations. Journal of Applied Physics 116 (9), 093703 (2014).

Caruso, F., V. Atalla, X. Ren, A. Rubio, M. Scheffler and P. Rinke: First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory. Physical Review B 90 (8), 085141 (2014).

Albareda Piquer, G., H. Appel, I. Franco, A. Abedi and A. Rubio: Correlated Electron-Nuclear Dynamics with Conditional Wave Functions. Physical Review Letters 113 (8), 083003 (2014).

Ruggenthaler, M., J. Flick, C. Pellegrini, H. Appel, I.V. Tokatly and A. Rubio: Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory. Physical Review A 90 (1), 012508 (2014).

Falke, S.M., C.A. Rozzi, D. Brida, M. Maiuri, M. Amato, E. Sommer, A.D. Sio, A. Rubio, G. Cerullo, E. Molinari and C. Lienau: Coherent ultrafast charge transfer in an organic photovoltaic blend. Science 344 (6187), 1001–1005 (2014).

Malic, E., H. Appel, O.T. Hofmann and A. Rubio: Förster-Induced Energy Transfer in Functionalized Graphene. The Journal of Physical Chemistry C 118 (17), 9283–9289 (2014).

Flick, J., H. Appel and A. Rubio: Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems. Journal of Chemical Theory and Computation 10 (4), 1665–1676 (2014).

Squire, R.H., N.H. March and A. Rubio: Are there really cooper pairs and persistent currents in aromatic molecules? International Journal of Quantum Chemistry 114 (7), 437–440 (2014).

Palma, C.-A., K. Diller, R. Berger, A. Welle, J. Björk, J.L. Cabellos, D.J. Mowbray, A.C. Papageorgiou, N.P. Ivleva, S. Matich, E. Margapoti, R. Niessner, B. Menges, J. Reichert, X. Feng, H.J. Räder, F. Klappenberger, A. Rubio, K. Müllen and J.V. Barth: Photoinduced C–C Reactions on Insulators toward Photolithography of Graphene Nanoarchitectures. Journal of the American Chemical Society 136 (12), 4651–4658 (2014).