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Journal Article (126)
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2016Journal ArticleE. Torun, H. Sahin, S. Cahangirov, Angel Rubio, and F. M. Peeters, "Anisotropic electronic, mechanical, and optical properties of monolayer WTe2," Journal of Applied Physics 119 (7), 074307 (2016).
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Journal ArticleMarco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio, and Matthias 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).
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Journal ArticleLivia Noëmi Glanzmann, Duncan John Mowbray, Diana Gisell Figueroa del Valle, Francesco Scotognella, Guglielmo Lanzani, and Angel Rubio, "Photoinduced Absorption within Single-Walled Carbon Nanotube Systems," The Journal of Physical Chemistry C 120 (3), 1926-1935 (2016).
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2015Journal ArticleXavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, and Angel Rubio, "Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems," Physical Chemistry Chemical Physics 17 (47), 31371-31396 (2015).
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Journal ArticleJohannes Flick, Michael Ruggenthaler, Heiko Appel, and Angel 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 United States of America 112 (50), 15285-15290 (2015).
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Journal ArticleHong Zhang, Yoshiyuki Miyamoto, Xinlu Chengc, and Angel Rubio, "Optical field terahertz amplitude modulation by graphene nanoribbons," Nanoscale 7 (45), 19012-19017 (2015).
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Journal ArticleJørgen Houmøller, Marius Wanko, Angel Rubio, and Steen Brøndsted Nielsen, "Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?," The Journal of Physical Chemistry A 119 (47), 11498-11503 (2015).
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Journal ArticleM. Bala Murali Krishna, Michael K. L. Man, Soumya Vinod, Catherine Chin, Takaaki Harada, Jaime Taha-Tijerina, Chandra Sekhar Tiwary, Patrick Nguyen, Patricia Chang, Tharangattu N. Narayanan, Angel Rubio, Pulickel M. Ajayan, Saikat Talapatra, and Keshav M. Dani, "Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes," Advanced Optical Materials 3 (11), 1551-1556 (2015).
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Journal ArticleJoaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, Miguel A. L. Marques, Fernando Nogueira, Micael J. T. Oliveira, James J. P. Stewart, and Angel Rubio, "Insights into colour-tuning of chlorophyll optical response in green plants," Physical Chemistry Chemical Physics 17 (40), 26599-26606 (2015).
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Journal ArticleMark H. Stockett, Lihi Musbat, Christina Kjær, Jørgen Houmøller, Yoni Toker, Angel Rubio, Bruce F. Milne, and Steen Brøndsted Nielsen, "The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions," Physical Chemistry Chemical Physics 17 (39), 25793-25798 (2015).
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Journal ArticleCamilla Pellegrini, Johannes Flick, Ilya V. Tokatly, Heiko Appel, and Angel Rubio, "Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory," Physical Review Letters 115 (9), 093001 (2015).
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Journal ArticleIris Theophilou, Nektarios N. Lathiotakis, Nikitas I. Gidopoulos, Angel Rubio, and Nicole Helbig, "Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?," The Journal of Chemical Physics 143 (5), 054106 (2015).
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Journal ArticleAlberto Castro, Angel Rubio, and Eberhard K. U. Gross, "Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme," European Physical Journal B 88 (8), 191 (2015).
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Journal ArticleRobert Biele, Roberto D'Agosta, and Angel Rubio, "Time-Dependent Thermal Transport Theory," Physical Review Letters 115 (5), 056801 (2015).
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Journal ArticleHuijuan Sun, Duncan J. Mowbray, Annapaola Migani, Jin Zhao, Hrvoje Petek, and Angel Rubio, "Comparing quasiparticle H2O level alignment on anatase and rutile TiO2," ACS Catalysis 5 (7), 4242-4254 (2015).
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Journal ArticleAlejandro Varas, Pablo García-González, F. J. García-Vidal, and Angel Rubio, "Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers," The Journal of Physical Chemistry Letters 6 (10), 1891-1898 (2015).
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Journal ArticleGuillermo Albareda, Josep Maria Bofill, Ivano Tavernelli, Fermin Huarte-Larrañaga, Francesc Illas, and Angel Rubio, "Conditional Born−Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine," The Journal of Physical Chemistry Letters 6 (9), 1529-1535 (2015).
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Journal ArticleKristian B. Ørnsø, Juan M. Garcia-Lastra, Gema De La Torre, F. J. Himpsel, Angel Rubio, and Kristian S. Thygesen, "Design of two-photon molecular tandem architectures for solar cells by ab initio theory," Chemical Science 6 (5), 3018-3025 (2015).
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Journal ArticleMaria Hellgren, Fabio Caruso, Daniel R. Rohr, Xinguo Ren, Angel Rubio, Matthias Scheffler, and Patrick Rinke, "Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation," Physical Review B 91 (16), 165110 (2015).
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Journal ArticlePierluigi Cudazzo, Francesco Sottile, Angel Rubio, and Matteo Gatti, "Exciton dispersion in molecular solids," Journal of Physics: Condensed Matter 27 (11), 113204 (2015).