Journal Article (52)

2018
Journal Article
Ultrafast modification of Hubbard U in a strongly correlated material: ab initio high-harmonic generation in NiO
Physical Review Letters 121 (9), 097402 (2018)
Journal Article
Peptides as Versatile Platforms for Quantum Computing
L. E. Rosaleny, C.-S. Salvador, L. Escalera-Moreno, J. Baldovi, Gołȩbiewska V., K. Wlazło, P. Casino, H. Prima-García, Gaita-Ariño A., E. Coronado
The Journal of Physical Chemistry Letters 9 (16), 4522–4526 (2018)
Journal Article
Transition metal inverse-hybrid perovskites
J. Gebhardt, A. M. Rappe
Journal of Materials Chemistry A 6 (30), 14560–14565 (2018)
Journal Article
Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials
G. A. Asres, J. Baldovi, A. Dombovari, T. Järvinen, G. S. Lorite, M. Mohl, A. Shchukarev, A. P. Paz, L. D. Xian, J.-P. Mikkola, A. L. Spetz, H. Jantunen, A. Rubio, K. Kordas
Nano Research 11 (8), 4215–4224 (2018)
Journal Article
Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO2 Nanoparticles
E. Baldini, T. Palmieri, A. Dominguez, P. Ruello, A. Rubio, M. Chergui
Nano Letters 18 (8), 5007–5014 (2018)
Journal Article
A shortcut to gradient-corrected magnon dispersion: exchange-only case
F. G. Eich, S. Pittalis, G. Vignale
European Physical Journal B 91 (8), 173 (2018)
Journal Article
Light-matter interactions via the exact factorization approach
N. Hoffmann, H. Appel, A. Rubio, N. T. Maitra
The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (2018)
Journal Article
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
Journal Article
Role of intraband transitions in photocarrier generation
S. Sato, M. Lucchini, M. Volkov, F. Schlaepfer, L. Gallmann, U. Keller, A. Rubio
Physical Review B 98 (3), 035202 (2018)
Journal Article
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
European Physical Journal B 91 (6), 126 (2018)
Journal Article
Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes
F. Covito, E. Perfetto, A. Rubio, G. Stefanucci
Physical Review A 97 (6), 061401 (2018)
Journal Article
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
A. G. Pueyo, M. A. L. Marques, A. Rubio, A. Castro
Journal of Chemical Theory and Computation 14 (6), 3040–3052 (2018)
Journal Article
Formal Equivalence Between Partitioned and Partition-Free Quenches in Quantum Transport
M. Ridley, R. Tuovinen
Journal of Low Temperature Physics 191 (5-6 (SI), 380–392 (2018)
Journal Article
Attosecond optical-field-enhanced carrier injection into the GaAs conduction band
F. Schlaepfer, M. Lucchini, S. Sato, M. Volkov, L. Kasmi, N. Hartmann, A. Rubio, L. Gallmann, U. Keller
Nature Physics 14 (6), 560–564 (2018)
Journal Article
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
Y. Miyamoto, A. Rubio
Journal of the Physical Society of Japan 87 (4), 041016 (2018)
Journal Article
Transient Charge and Energy Flow in the Wide-Band Limit
Journal of Chemical Theory and Computation 14 (5), 2495–2504 (2018)
Journal Article
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
C. D. Pemmaraju, F. D. Vila, J. J. Kas, S. Sato, J. J. Rehr, K. Yabana, D. Prendergast
Computer Physics Communications 226, 30–38 (2018)
Journal Article
Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics
S. Sato, A. Kelly, A. Rubio
Physical Review B 97 (13), 134308 (2018)
Journal Article
Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
L. Escalera-Moreno, J. Baldovi, A. Gaita-Ariño, E. Coronado
Chemical Science 9 (13), 3265–3275 (2018)
Journal Article
Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study
I. Theophilou, N. N. Lathiotakis, N. Helbig
The Journal of Chemical Physics 148 (11), 114108 (2018)
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