Further Information

Theory Department


Journal Article (58)

  1. 1.
    Hübener, H.; Sentef, M. A.; de Giovannini, U.; Kemper, A. F.; Rubio, A.: Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials. Nature Communications (2017)
  2. 2.
    Pomarico, E.; Mitrano, M.; Bromberger, H.; Sentef, M. A.; Al-Temimy, A.; Coletti, C.; Stöhr, A.; Link, S.; Starke, U.; Cacho, C. et al.; Chapman, R.; Springate, E.; Cavalleri, A.; Gierz, I.: Enhanced electron-phonon coupling in graphene with periodically distorted lattice. Physical Review B 95 (2), 024304 (2017)
  3. 3.
    Anderson, S. M.; Tancogne-Dejean, N.; Mendoza, B. S.; Véniard, V.: Improved ab initio calculation of surface second-harmonic generation from Si(111)(1×1):H. Physical Review B 93 (23), 235304 (2016)
  4. 4.
    Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R. T.; Peeters, F. M.; Sahin, H.: Bilayer SnS2: Tunable stacking sequence by charging and loading pressure. Physical Review B 93 (12), 125403 (2016)
  5. 5.
    Brumme, T.; Calandra, M.; Mauri, F.: Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect. Physical Review B 93 (8), 081407(R) (2016)
  6. 6.
    Cao, W.; Tang, P.; Zhang, S.-C.; Duan, W.; Rubio, A.: Stable Dirac semimetal in the allotropes of group-IV elements. Physical Review B 93 (24), 241117(R) (2016)
  7. 7.
    Casadei, M.; Ren, X.; Rinke, P.; Rubio, A.; Scheffler, M.: 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)
  8. 8.
    Cudazzo, P.; Müller, E.; Habenicht, C.; Gatti, M.; Berger, H.; Knupfer, M.; Rubio, A.; Huotari, S.: Negative plasmon dispersion in 2H-NbS2 beyond the charge-density-wave interpretation. New Journal of Physics (2016)
  9. 9.
    De Giovannini, U.; Hübener, H.; Rubio, A.: A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems. Journal of Chemical Theory and Computation (2016)
  10. 10.
    De Giovannini, U.; Hübener, H.; Rubio, A.: Monitoring electron-photon dressing in WSe2. Nano Letters (2016)
  11. 11.
    Dimitrov, T.; Appel, H.; Fuks, J. I.; Rubio, A.: Exact maps in density functional theory for lattice models. New Journal of Physics (2016)
  12. 12.
    Eich, F. G.; Agostini, F.: The adiabatic limit of the exact factorization of the electron-nuclear wave function. The Journal of Chemical Physics 145 (5), 054110 (2016)
  13. 13.
    Ersan, F.; Cahangirov, S.; Gökoğlu, G.; Rubio, A.; Aktürk, E.: Stable monolayer honeycomb-like structures of RuX2 (X=S, Se). Physical Review B 94 (15), 155415 (2016)
  14. 14.
    Flick, J.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Atoms and Molecules in Cavities: From Weak to Strong Coupling in QED Chemistry. Proceedings of the National Academy of Sciences of the United States of America 114 (12), pp. 3026 - 3034 (2016)
  15. 15.
    Fuks, J. I.; Nielsen, S. E. B.; Ruggenthaler, M.; Maitra, N. T.: Time-dependent density functional theory beyond Kohn–Sham Slater determinants. Physical Chemistry Chemical Physics 18 (31), pp. 20976 - 20985 (2016)
  16. 16.
    Garcia-Lastra, J. M.; Boukahil, I.; Qiao, R.; Rubio, A.; Himpsel, F. J.: Electronic Structure of Low-Dimensional Carbon π-Systems. The Journal of Physical Chemistry C 120 (23), pp. 12362 - 12368 (2016)
  17. 17.
    Glanzmann, L. N.; Mowbray, D. J.; Valle, D. G. F. d.; Scotognella, F.; Lanzani, G.; Rubio, A.: Photoinduced Absorption within Single-Walled Carbon Nanotube Systems. The Journal of Physical Chemistry C 120 (3), pp. 1926 - 1935 (2016)
  18. 18.
    Kylänpää, I.; Berardi, F.; Räsänen, E.; García-González, P.; Rozzi, C. A.; Rubio, A.: Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study. New Journal of Physics (2016)
  19. 19.
    Lubasch, M.; Fuks, J. I.; Appel, H.; Rubio, A.; Cirac, J. I.; Bañuls, M.-C.: Systematic construction of density functionals based on matrix product state computations. New Journal of Physics (2016)
  20. 20.
    Milne, B. F.; Kjær, C.; Houmøller, J.; Stockett, M. H.; Toker, Y.; Rubio, A.; Nielsen, S. B.: On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment. Angewandte Chemie International Edition 55 (21), pp. 6248 - 6251 (2016)
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