Further Information

Theory Department

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Journal Article (179)

  1. 1.
    Journal Article
    Giménez-Santamarina⁠, S.; Cardona-Serra, S.; Baldovi, J.: Exploring the transport properties of equatorially low-coordinated erbium single ion magnets. Journal of Magnetism and Magnetic Materials 489, 165455 (2019)
  2. 2.
    Journal Article
    Lüders, M.; Cudazzo, P.; Profeta, G.; Continenza, A.; Massidda, S.; Sanna, A.; Gross, E. K. U.: Direct evaluation of the isotope effect within the framework of density functional theory for superconductors. Journal of Physics: Condensed Matter 31 (33), 334001 (2019)
  3. 3.
    Journal Article
    Jung, S.‐.; Park, J.; Shin, D.; Jeong, H. Y.; Lee, D.; Jeon, I.‐.; Cho, H.; Park, N.; Yoo, J.‐.; Baek, J.‐.: Paramagnetic Carbon Nanosheets with Random Hole Defects and Oxygenated Functional Groups. Angewandte Chemie International Edition 58 (34), pp. 11670 - 11675 (2019)
  4. 4.
    Journal Article
    Claassen, M.; Kennes, D. M.; Zingl, M.; Sentef, M. A.; Rubio, A.: Universal Optical Control of Chiral Superconductors and Majorana Modes. Nature Physics 15, pp. 766 - 770 (2019)
  5. 5.
    Journal Article
    Kerelsky, A.; McGilly, L. J.; Kennes, D. M.; Xian, L. D.; Yankowitz, M.; Chen, S.; Watanabe, K.; Taniguchi, T.; Hone, J.; Dean, C. et al.; Rubio, A.; Pasupathy, A. N.: Maximized electron interactions at the magic angle in twisted bilayer graphene. Nature 572 (7767), pp. 95 - 100 (2019)
  6. 6.
    Journal Article
    Castells-Gil, J.; Mañas-Valero, S.; Vitórica-Yrezábal, I. J.; Ananias, D.; Rocha, J.; Santiago, R.; Bromley, S. T.; Baldovi, J.; Coronado, E.; Soutoa, M. et al.; Espallargasa, G. M.: Electronic, Structural and Functional Versatility in Tetrathiafulvalene-Lanthanide Metal-Organic Frameworks. Chemistry – A European Journal (2019)
  7. 7.
    Journal Article
    Zhang, Q.; Baker, M. L.; Li, S.; Sarachik, M. P.; Baldovi, J.; Gaita-Ariño, A.; Coronado, E.; Alexandropoulos, D. I.; Stamatatos, T. C.: Experimental Determination of Single Molecule Toroic Behaviour in a Dy8 Single-Molecule Magnet. Nanoscale (2019)
  8. 8.
    Journal Article
    Rokaj, V.; Penz, M.; Sentef, M. A.; Ruggenthaler, M.; Rubio, A.: Quantum Electrodynamical Bloch Theory with Homogeneous Magnetic Fields. Physical Review Letters 123 (4), 047202 (2019)
  9. 9.
    Journal Article
    Chavez Cervantes, M.; Topp, G.; Aeschlimann, S.; Krause, R.; Sato, S.; Sentef, M. A.; Gierz, I.: Charge density wave melting in one-dimensional wires with femtosecond subgap excitation. Physical Review Letters 123 (3), 036405 (2019)
  10. 10.
    Journal Article
    Penz, M.; Laestadius, A.; Tellgren, E. I.; Ruggenthaler, M.: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 123 (3), 037401 (2019)
  11. 11.
    Journal Article
    Laestadius, A.; Tellgren, E. I.; Penz, M.; Ruggenthaler, M.; Kvaal, S.; Helgaker, T.: Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability. Journal of Chemical Theory and Computation 15 (7), pp. 4003 - 4020 (2019)
  12. 12.
    Journal Article
    Tuovinen, R.; Golež, D.; Schüler, M.; Werner, P.; Eckstein, M.; Sentef, M. A.: Adiabatic Preparation of a Correlated Symmetry‐Broken Initial State with the Generalized Kadanoff–Baym Ansatz. Physica Status Solidi B 256 (7), 1800469 (2019)
  13. 13.
    Journal Article
    Wang, X.; Ronca, E.; Sentef, M. A.: Cavity quantum electrodynamical Chern insulator: Towards light-induced quantized anomalous Hall effect in graphene. Physical Review B 99 (23), 235156 (2019)
  14. 14.
    Journal Article
    Pellegrini, C.; Glawe, H.; Sanna, A.: Density functional theory of superconductivity in doped tungsten oxides. Physical Review Materials 3 (6) (2019)
  15. 15.
    Journal Article
    Tuovinen, R.; Sentef, M. A.; da Rocha, C. G.; Ferreira, M. S.: Time-resolved impurity-invisibility in graphene nanoribbons. Nanoscale 11 (2019)
  16. 16.
    Journal Article
    Sato, S.; McIver, J. W.; Nuske, M.; Tang, P.; Jotzu, G.; Schulte, B.; Hübener, H.; de Giovannini, U.; Mathey, L.; Sentef, M. A. et al.; Cavalleri, A.; Rubio, A.: Microscopic theory for the light-induced anomalous Hall effect in graphene. Physical Review B 99 (21), 214302 (2019)
  17. 17.
    Journal Article
    Giesbertz, K. J. H.; Ruggenthaler, M.: One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures. Physics Reports: Review Section of Physics Letters 806, pp. 1 - 47 (2019)
  18. 18.
    Journal Article
    Miyamoto, Y.; Zhang, H.; Cheng, X.; Rubio, A.: Ab initio simulation of laser-induced water decomposition close to carbon nanotubes. Physical Review B 99 (16), 165424 (2019)
  19. 19.
    Journal Article
    Gebhardt, J.; Rappe, A. M.: Big data approach for effective ionic radii. Computer Physics Communications 237, pp. 238 - 243 (2019)
  20. 20.
    Journal Article
    Reinhard, T.; Mordovina, U.; Hubig, C.; Kretchmer, J. S.; Schollwöck, U.; Appel, H.; Sentef, M. A.; Rubio, A.: Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model. Journal of Chemical Theory and Computation 15 (4), pp. 2221 - 2232 (2019)
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