Further Information

Theory Department

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Publications

Journal Article (155)

  1. 1.
    Journal Article
    Gebhardt, J.; Rappe, A. M.: Big data approach for effective ionic radii. Computer Physics Communications 237, pp. 238 - 243 (2019)
  2. 2.
    Journal Article
    Lebedeva, I. V.; Strubbe, D. A.; Tokatly, I. V.; Rubio, A.: Orbital magneto-optical response of periodic insulators from first principles. npj Computational Materials 5, 32 (2019)
  3. 3.
    Journal Article
    Albareda Piquer, G.; Kelly, A.; Rubio, A.: Nonadiabatic quantum dynamics without potential energy surfaces. Physical Review Materials 3 (2), 023803 (2019)
  4. 4.
    Journal Article
    Otobe, T.; Shinohara, Y.; Sato, S.; Yabana, K.: Theory for Electron Excitation in Dielectrics under an Intense Linear and Circularly Polarized Laser Fields. Journal of the Physical Society of Japan 88 (2), 024706 (2019)
  5. 5.
    Journal Article
    Cort, L.; Nielsen, S. E. B.; van Leeuwen, R.: Strictly-correlated-electron approach to excitation energies of dissociating molecules. Physical Review A 99 (2), 022501 (2019)
  6. 6.
    Journal Article
    Coutinho, J. T.; Perfetti, M.; Baldovi, J.; Antunes, M. A.; Hallmen, P. P.; Bamberger, H.; Crassee, I.; Orlita, M.; Almeida, M.; van Slageren, J. et al.; Pereira, L. C. J.: Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion Magnet. Chemistry – A European Journal 25 (7), pp. 1758 - 1766 (2019)
  7. 7.
    Journal Article
    Noda, M.; Sato, S.; Hirokawa, Y.; Uemoto, M.; Takeuchi, T.; Yamada, S.; Yamada, A.; Shinohara, Y.; Yamaguchi, M.; Iida, K. et al.; Floss, I.; Otobe, T.; Lee, K.-M.; Ishimura, K.; Boku, T.; Bertsch, G. F.; Nobusada, K.; Yabana, K.: SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience. Computer Physics Communications 235, pp. 356 - 365 (2019)
  8. 8.
    Journal Article
    Schäfer, C.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry. Proceedings of the National Academy of Sciences of the United States of America (2019)
  9. 9.
    Journal Article
    Peng, L.; Xian, J.-J.; Tang, P.; Rubio, A.; Zhang, S.-C.; Zhang, W.; Fu, Y.-S.: Visualizing topological edge states of single and double bilayer Bi supported on multibilayer Bi(111) films. Physical Review B 98 (24), 245108 (2018)
  10. 10.
    Journal Article
    Coutinho, J. T.; Pereira, C. C. L.; Marçalo, J.; Baldovi, J.; Almeida, M.; Monteiro, B.; Pereira, L. C. J.: Magnetic Study of a Layered Lanthanide Hydroxide family: Ln8(OH)20Cl4·nH2O (Ln = Tb, Ho, Er). Dalton Transactions 47 (45), pp. 16211 - 16217 (2018)
  11. 11.
    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 255 (11), 1800469 (2018)
  12. 12.
    Journal Article
    Sentef, M. A.; Ruggenthaler, M.; Rubio, A.: Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity. Science Advances 4 (11), eaau6969 (2018)
  13. 13.
    Journal Article
    Marques, M. A. L.; Nogueira, F.; Rubio, A.; Ullrich, C. A.: Special issue in honor of Eberhard K.U. Gross for his 65th birthday. European Physical Journal B 91 (11), 297 (2018)
  14. 14.
    Journal Article
    Cañon-Mancisidor, W.; Miralles, S. G.; Baldovi, J.; Espallargas, G. M.; Gaita-Ariño, A.; Coronado, E.: Sublimable Single Ion Magnets Based on Lanthanoid Quinolinate Complexes: The Role of Intermolecular Interactions on Their Thermal Stability. Inorganic Chemistry 57 (22), pp. 14170 - 14177 (2018)
  15. 15.
    Journal Article
    Castells-Gil, J.; Baldovi, J.; Martí-Gastaldo, C.; Espallargas, G. M.: Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement. Dalton Transactions 47 (41), pp. 14734 - 14740 (2018)
  16. 16.
    Journal Article
    Fuks, J. I.; Lacombe, L.; Nielsen, S. E. B.; Maitrab, N. T.: Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT. Physical Chemistry Chemical Physics 20 (41), pp. 26145 - 26160 (2018)
  17. 17.
    Journal Article
    Schmidt, P.; Vialla, F.; Latini, S.; Massicotte, M.; Tielrooij, K.-J.; Mastel, S.; Navickaite, G.; Danovich, M.; Ruiz-Tijerina, D. A.; Yelgel, C. et al.; Fal’ko, V.; Thygesen, K. S.; Hillenbrand, R.; Koppens, F. H. L.: Nano-imaging of intersubband transitions in van der Waals quantum wells. Nature Nanotechnology 13 (11), pp. 1035 - 1041 (2018)
  18. 18.
    Journal Article
    Le Breton, G.; Rubio, A.; Tancogne-Dejean, N.: High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response. Physical Review B 98 (16), 165308 (2018)
  19. 19.
    Journal Article
    Laestadius, A.; Penz, M.; Tellgren, E. I.; Ruggenthaler, M.; Kvaal, S.; Helgaker, T.: Generalized Kohn–Sham iteration on Banach spaces. The Journal of Chemical Physics 149 (16), 164103 (2018)
  20. 20.
    Journal Article
    Topp, G.; Tancogne-Dejean, N.; Kemper, A. F.; Rubio, A.; Sentef, M. A.: All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates. Nature Communications 9, 4452 (2018)
 
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