Zeitschriftenartikel (52)
2018
Zeitschriftenartikel
Ultrafast modification of Hubbard U in a strongly correlated material: ab initio high-harmonic generation in NiO
Physical Review Letters 121 (9), 097402 (2018)
Zeitschriftenartikel
Peptides as Versatile Platforms for Quantum Computing
, , , J. Baldovi, , , , , ,
The Journal of Physical Chemistry Letters 9 (16), 4522–4526 (2018)
Zeitschriftenartikel
Transition metal inverse-hybrid perovskites
Journal of Materials Chemistry A 6 (30), 14560–14565 (2018)
Zeitschriftenartikel
Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials
Nano Research 11 (8), 4215–4224 (2018)
Zeitschriftenartikel
Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO2 Nanoparticles
, , , , A. Rubio,
Nano Letters 18 (8), 5007–5014 (2018)
Zeitschriftenartikel
A shortcut to gradient-corrected magnon dispersion: exchange-only case
F. G. Eich, ,
European Physical Journal B 91 (8), 173 (2018)
Zeitschriftenartikel
Light-matter interactions via the exact factorization approach
The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (2018)
Zeitschriftenartikel
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
Zeitschriftenartikel
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
European Physical Journal B 91 (6), 126 (2018)
Zeitschriftenartikel
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
, , A. Rubio,
Journal of Chemical Theory and Computation 14 (6), 3040–3052 (2018)
Zeitschriftenartikel
Formal Equivalence Between Partitioned and Partition-Free Quenches in Quantum Transport
Journal of Low Temperature Physics 191 (5-6 (SI), 380–392 (2018)
Zeitschriftenartikel
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
, A. Rubio
Journal of the Physical Society of Japan 87 (4), 041016 (2018)
Zeitschriftenartikel
Transient Charge and Energy Flow in the Wide-Band Limit
Journal of Chemical Theory and Computation 14 (5), 2495–2504 (2018)
Zeitschriftenartikel
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
, , , S. Sato, , ,
Computer Physics Communications 226, 30–38 (2018)
Zeitschriftenartikel
Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
, J. Baldovi, ,
Chemical Science 9 (13), 3265–3275 (2018)
Zeitschriftenartikel
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)