Journal Article (637)

2019
Journal Article
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)
Journal Article
Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation
D. A. Duncan, P. C. Aguilar, M. Paszkiewicz, K. Diller, F. Bondino, E. Magnano, F. Klappenberger, I. Píš, A. Rubio, J. V. Barth, A. Pérez Paz, F. Allegretti
The Journal of Chemical Physics 150 (9), 094702 (2019)
Journal Article
Nonlinear polarization evolution using time-dependent density functional theory
M. Uemoto, Y. Kuwabara, S. Sato, K. Yabana
The Journal of Chemical Physics 150 (9), 094101 (2019)
Journal Article
Orbital magneto-optical response of periodic insulators from first principles
I. V. Lebedeva, D. A. Strubbe, I. V. Tokatly, A. Rubio
Npj Computational Materials 5, 32 (2019)
Journal Article
Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states
Proceedings of the National Academy of Sciences of the United States of America 116 (10), 4135–4140 (2019)
Journal Article
Nonadiabatic quantum dynamics without potential energy surfaces
Physical Review Materials 3 (2), 023803 (2019)
Journal Article
Theory for Electron Excitation in Dielectrics under an Intense Linear and Circularly Polarized Laser Fields
T. Otobe, Y. Shinohara, S. Sato, K. Yabana
Journal of the Physical Society of Japan 88 (2), 024706 (2019)
Journal Article
Strictly-correlated-electron approach to excitation energies of dissociating molecules
L. Cort, S. E. B. Nielsen, R. van Leeuwen
Physical Review A 99 (2), 022501 (2019)
Journal Article
Spectroscopic Determination of the Electronic Structure of a Uranium Single‐Ion Magnet
J. T. Coutinho, M. Perfetti, J. Baldovi, M. A. Antunes, P. P. Hallmen, H. Bamberger, I. Crassee, M. Orlita, M. Almeida, J. van Slageren, L. C. J. Pereira
Chemistry – A European Journal 25 (7), 1758–1766 (2019)
Journal Article
SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience
M. Noda, S. Sato, Y. Hirokawa, M. Uemoto, T. Takeuchi, S. Yamada, A. Yamada, Y. Shinohara, M. Yamaguchi, K. Iida, I. Floss, T. Otobe, K.-M. Lee, K. Ishimura, T. Boku, G. F. Bertsch, K. Nobusada, K. Yabana
Computer Physics Communications 235, 356–365 (2019)
Journal Article
Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
Advances in Physics 68 (4), 225–333 (2019)
2018
Journal Article
Visualizing topological edge states of single and double bilayer Bi supported on multibilayer Bi(111) films
L. Peng, J.-J. Xian, P. Tang, A. Rubio, S.-C. Zhang, W. Zhang, Y.-S. Fu
Physical Review B 98 (24), 245108 (2018)
Journal Article
A magnetic study of a layered lanthanide hydroxide family: Ln8(OH)20Cl4·nH2O (Ln = Tb, Ho, Er)
J. T. Coutinho, C. C. L. Pereira, J. Marçalo, J. Baldovi, M. Almeida, B. Monteiro, L. C. J. Pereira
Dalton Transactions 47 (45), 16211–16217 (2018)
Journal Article
Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity
Science Advances 4 (11), eaau6969 (2018)
Journal Article
Special issue in honor of Eberhard K.U. Gross for his 65th birthday
M. A. L. Marques, F. Nogueira, A. Rubio, C. A. Ullrich
European Physical Journal B 91 (11), 297 (2018)
Journal Article
Sublimable Single Ion Magnets Based on Lanthanoid Quinolinate Complexes: The Role of Intermolecular Interactions on Their Thermal Stability
W. Cañon-Mancisidor, S. G. Miralles, J. Baldovi, G. M. Espallargas, A. Gaita-Ariño, E. Coronado
Inorganic Chemistry 57 (22), 14170–14177 (2018)
Journal Article
Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement
J. Castells-Gil, J. Baldovi, C. Martí-Gastaldo, G. M. Espallargas
Dalton Transactions 47 (41), 14734–14740 (2018)
Journal Article
Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT
J. I. Fuks, L. Lacombe, S. E. B. Nielsen, N. T. Maitrab
Physical Chemistry Chemical Physics 20 (41), 26145–26160 (2018)
Journal Article
Nano-imaging of intersubband transitions in van der Waals quantum wells
P. Schmidt, F. Vialla, S. Latini, M. Massicotte, K.-J. Tielrooij, S. Mastel, G. Navickaite, M. Danovich, D. A. Ruiz-Tijerina, C. Yelgel, V. Fal’ko, K. S. Thygesen, R. Hillenbrand, F. H. L. Koppens
Nature Nanotechnology 13 (11), 1035–1041 (2018)
Journal Article
High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response
Physical Review B 98 (16), 165308 (2018)
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