Further Information

Theory Department

Publications

Journal Article (179)

  1. 61.
    Journal Article
    Sato, S.; Lucchini, M.; Volkov, M.; Schlaepfer, F.; Gallmann, L.; Keller, U.; Rubio, A.: Role of intraband transitions in photocarrier generation. Physical Review B 98 (3), 035202 (2018)
  2. 62.
    Journal Article
    Sato, S.; Hübener, H.; Rubio, A.; de Giovannini, U.: First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory. European Physical Journal B 91 (6), 126 (2018)
  3. 63.
    Journal Article
    Covito, F.; Perfetto, E.; Rubio, A.; Stefanucci, G.: Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes. Physical Review A 97 (6), 061401 (2018)
  4. 64.
    Journal Article
    Pueyo, A. G.; Marques, M. A. L.; Rubio, A.; Castro, A.: Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods. Journal of Chemical Theory and Computation 14 (6), pp. 3040 - 3052 (2018)
  5. 65.
    Journal Article
    Ridley, M.; Tuovinen, R.: Formal Equivalence Between Partitioned and Partition-Free Quenches in Quantum Transport. Journal of Low Temperature Physics 191 (5-6 (SI)), pp. 380 - 392 (2018)
  6. 66.
    Journal Article
    Schlaepfer, F.; Lucchini, M.; Sato, S.; Volkov, M.; Kasmi, L.; Hartmann, N.; Rubio, A.; Gallmann, L.; Keller, U.: Attosecond optical-field-enhanced carrier injection into the GaAs conduction band. Nature Physics 14 (6), pp. 560 - 564 (2018)
  7. 67.
    Journal Article
    Miyamoto, Y.; Rubio, A.: Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials. Journal of the Physical Society of Japan 87 (4), 041016 (2018)
  8. 68.
    Journal Article
    Covito, F.; Eich, F. G.; Tuovinen, R.; Sentef, M. A.; Rubio, A.: Transient Charge and Energy Flow in the Wide-Band Limit. Journal of Chemical Theory and Computation 14 (5), pp. 2495 - 2504 (2018)
  9. 69.
    Journal Article
    Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; Sato, S.; Rehr, J. J.; Yabana, K.; Prendergast, D.: Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set. Computer Physics Communications 226, pp. 30 - 38 (2018)
  10. 70.
    Journal Article
    Sato, S.; Kelly, A.; Rubio, A.: Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics. Physical Review B 97 (13), 134308 (2018)
  11. 71.
    Journal Article
    Escalera-Moreno, L.; Baldovi, J.; Gaita-Ariño, A.; Coronado, E.: Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective. Chemical Science 9 (13), pp. 3265 - 3275 (2018)
  12. 72.
    Journal Article
    Theophilou, I.; Lathiotakis, N. N.; Helbig, N.: Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study. The Journal of Chemical Physics 148 (11), 114108 (2018)
  13. 73.
    Journal Article
    Schwarz, M.; Garnica, M.; Duncan, D. A.; Paz, A. P.; Ducke, J.; Deimel, P. S.; Thakur, P. K.; Lee, T.-L.; Rubio, A.; Barth, J. V. et al.; Allegretti, F.; Auwärter, W.: Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111). The Journal of Physical Chemistry C 122 (10), pp. 5452 - 5461 (2018)
  14. 74.
    Journal Article
    Ruggenthaler, M.; Tancogne-Dejean, N.; Flick, J.; Appel, H.; Rubio, A.: From a quantum-electrodynamical light–matter description to novel spectroscopies. Nature Reviews Chemistry 2 (3) (2018)
  15. 75.
    Journal Article
    Ducke, J.; Riss, A.; Pérez Paz, A.; Seufert, K.; Schwarz, M.; Garnica, M.; Rubio, A.; Auwärter, W.: Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation. ACS Nano 12 (3), pp. 2677 - 2684 (2018)
  16. 76.
    Journal Article
    Flick, J.; Schäfer, C.; Ruggenthaler, M.; Appel, H.; Rubio, A.: Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State. ACS Photonics 5 (3), pp. 992 - 1005 (2018)
  17. 77.
    Journal Article
    Tancogne-Dejean, N.; Rubio, A.: Atomic-like high-harmonic generation from two-dimensional materials. Science Advances 4 (2) (2018)
  18. 78.
    Journal Article
    Rokaj, V.; Welakuh, D.; Ruggenthaler, M.; Rubio, A.: Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy. Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018)
  19. 79.
    Journal Article
    Shin, D.; Hübener, H.; de Giovannini, U.; Jin, H.; Rubio, A.; Park, N.: Phonon-driven spin-Floquet magneto-valleytronics in MoS2. Nature Communications 9 (638) (2018)
  20. 80.
    Journal Article
    Hübener, H.; de Giovannini, U.; Rubio, A.: Phonon Driven Floquet Matter. Nano Letters 18 (2), pp. 1535 - 1542 (2018)
 
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