Zeitschriftenartikel (744)

2020
Zeitschriftenartikel
An adaptive design approach for defects distribution modeling in materials from first-principle calculations
M. P. Lourenço, A. d. S. Anastácio, A. L. Rosa, T. Frauenheim, M. C. da Silva
Journal of Molecular Modeling 26 (7), 187 (2020)
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Effective 1D Time-Dependent Schrödinger Equations for 3D Geometrically Correlated Systems
D. Pandey, X. Oriols, G. Albareda Piquer
Materials 13 (13), 3033 (2020)
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Quantum walk versus classical wave: Distinguishing ground states of quantum magnets by spacetime dynamics
P. Wrzosek, K. Wohlfeld, D. Hofmann, T. Sowiński, M. A. Sentef
Physical Review B 102 (2), 024440 (2020)
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Direct Observation of Incommensurate–Commensurate Transition in Graphene-hBN Heterostructures via Optical Second Harmonic Generation
E. A. Stepanov, S. V. Semin, C. R. Woods, M. Vandelli, A. V. Kimel, K. S. Novoselov, M. I. Katsnelson
ACS Applied Materials and Interfaces 12 (24), 27758–27764 (2020)
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On‐Surface Assembly of Hydrogen‐ and Halogen‐Bonded Supramolecular Graphyne‐Like Networks
Z. Yang, L. Fromm, T. Sander, J. Gebhardt, T. A. Schaub, A. Görling, M. Kivala, S. Maier
Angewandte Chemie International Edition 59 (24), 9549–9555 (2020)
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Polaritonic coupled-cluster theory
U. Mordovina, C. Bungey, H. Appel, P. J. Knowles, A. Rubio, F. R. Manby
Physical Review Research 2 (2), 023262 (2020)
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Electronic Properties and Charge Transfer of Topologically Protected States in Hybrid Bismuthene Layers
A. L. da Rosa, E. N. Lima, M. C. da Silva, R. B. Pontes, J. S. de Almeida, T. M. Schmidt, T. Frauenheim
The Journal of Physical Chemistry C 124 (21), 11708–11715 (2020)
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Setting the photoelectron clock through molecular alignment
A. Trabattoni, J. Wiese, U. de Giovannini, J.-F. Olivieri, T. Mullins, J. Onvlee, S.-K. Son, B. Frusteri, A. Rubio, S. Trippel, J. Küpper
Nature Communications 11 (1), 2546 (2020)
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Contrasting Efficiency of Electron-Induced Reaction at Cu(110) in Aliphatic and Aromatic Bromides
M. J. Timm, L. Leung, K. Anggara, T. Lim, Z. Hu, S. Latini, A. Rubio, J. C. Polanyi
Journal of the American Chemical Society 142 (20), 9453–9459 (2020)
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Floquet Engineering Topological Many-Body Localized Systems
K. S. C. Decker, C. Karrasch, J. Eisert, D. M. Kennes
Physical Review Letters 124 (19), 190601 (2020)
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Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta2NiSe5
G. Mazza, M. Rösner, L. Windgätter, S. Latini, H. Hübener, A. J. Millis, A. Rubio, A. Georges
Physical Review Letters 124, 197601 (2020)
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Berry curvature engineering by gating two-dimensional antiferromagnets
S. Du, P. Tang, J. Li, Z. Lin, Y. Xu, W. Duan, A. Rubio
Physical Review Research 2 (2), 022025(R) (2020)
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Unique continuation for the magnetic Schrödinger equation
A. Laestadius, M. Benedicks, M. Penz
International Journal of Quantum Chemistry 120 (8), e26149 (2020)
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Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics
C. Schäfer, M. Ruggenthaler, V. Rokaj, A. Rubio
ACS Photonics 7 (4), 975–990 (2020)
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Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
M. Jacobs, J. Krumland, A. M. Valencia, H. Wang, M. Rossi, C. Cocchi
Advances in Physics: X 5 (1), 1749883 (2020)
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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim
The Journal of Chemical Physics 152 (12), 124101 (2020)
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
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Electron–phonon-driven three-dimensional metallicity in an insulating cuprate
E. Baldini, M. A. Sentef, S. Acharya, T. Brumme, E. Sheveleva, F. Lyzwa, E. Pomjakushina, C. Bernhard, M. van Schilfgaarde, F. Carbone, A. Rubio, C. Weber
Proceedings of the National Academy of Sciences of the United States of America 117 (12), 6409–6416 (2020)
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Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
A. Riss, M. Richter, A. Pérez Paz, X.-Y. Wang, R. Raju, Y. He, J. Ducke, E. Corral, M. Wuttke, K. Seufert, M. Garnica, A. Rubio, J. V. Barth, A. Narita, K. Müllen, R. Berger, X. Feng, C.-A. Palma, W. Auwärter
Nature Communications 11 (1), 1490 (2020)
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One-dimensional flat bands in twisted bilayer germanium selenide
D. M. Kennes, L. D. Xian, M. Claassen, A. Rubio
Nature Communications 11 (1), 1124 (2020)
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