Zeitschriftenartikel (744)
2018
Zeitschriftenartikel
Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation
, , , , , , A. Rubio,
ACS Nano 12 (3), 2677–2684 (2018)
Zeitschriftenartikel
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
ACS Photonics 5 (3), 992–1005 (2018)
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Atomic-like high-harmonic generation from two-dimensional materials
Science Advances 4 (2), eaao5207 (2018)
Zeitschriftenartikel
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)
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Phonon-driven spin-Floquet magneto-valleytronics in MoS2
Nature Communications 9 (638), 638 (2018)
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Phonon Driven Floquet Matter
Nano Letters 18 (2), 1535–1542 (2018)
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Ab initio multiscale simulation of high-order harmonic generation in solids
, , , , S. Sato, , ,
Physical Review A 97 (1), 011401 (2018)
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Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
, , J. Baldovi, , , , , , ,
Chemical Science 9 (1), 199–208 (2018)
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Large area planar stanene epitaxially grown on Ag(1 1 1)
, , , , , , A. Rubio,
2D Materials 5 (2), 025002 (2018)
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Recent developments in libxc — A comprehensive library of functionals for density functional theory
, , M. J. T. Oliveira,
SoftwareX 7, 1–5 (2018)
2017
Zeitschriftenartikel
Self-consistent DFT + U method for real-space time-dependent density functional theory calculations
Physical Review B 96 (24), 245133 (2017)
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Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas
, , F. G. Eich,
Physical Review A 96 (6), 062508 (2017)
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Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne
, , , A. Rubio, , , , , ,
Physical Review Materials 1 (7), 075601 (2017)
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Exact functionals for correlated electron-photon systems
New Journal of Physics 19, 113036 (2017)
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Time-dependent Landauer-Büttiker approach to charge pumping in ac-driven graphene nanoribbons
Physical Review B 96 (19), 195429 (2017)
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Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
, , , , , , M. J. T. Oliveira,
npj Computational Materials 3, UNSP 46 (2017)
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Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics
Nature Communications 8, 745 (2017)
Zeitschriftenartikel
Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory
, , , A. Rubio
Physical Review B 96 (11), 115451 (2017)
Zeitschriftenartikel
[Viewpoint:] Inducing Multiple Reactions with a Single Photon
Physics 10, 105 (2017)
Zeitschriftenartikel
Review of the theoretical description of time-resolved angle-resolved photoemission spectroscopy in electron-phonon mediated superconductors
, M. A. Sentef, , ,
Annalen der Physik 529 (9), 1600235 (2017)