Publications

Journal Article

Microscopic theory for the light-induced anomalous Hall effect in graphene

S. Sato, J. W. McIver, M. Nuske, P. Tang, G. Jotzu, B. Schulte, H. Hübener, U. de Giovannini, L. Mathey, M. A. Sentef, A. Cavalleri, A. Rubio

Physical Review B 99 (21), 214302 (2019)

MPG.PuRe

Journal Article

One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures

K. J. H. Giesbertz, M. Ruggenthaler

Physics Reports: Review Section of Physics Letters 806, 1–47 (2019)

MPG.PuRe

post-print

Journal Article

Ab initio simulation of laser-induced water decomposition close to carbon nanotubes

Y. Miyamoto, H. Zhang, X. Cheng, A. Rubio

Physical Review B 99 (16), 165424 (2019)

MPG.PuRe

Journal Article

Big data approach for effective ionic radii

J. Gebhardt, A. M. Rappe

Computer Physics Communications 237, 238–243 (2019)

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pre-print

Journal Article

Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model

T. Reinhard, U. Mordovina, C. Hubig, J. S. Kretchmer, U. Schollwöck, H. Appel, M. A. Sentef, A. Rubio

Journal of Chemical Theory and Computation 15 (4), 2221–2232 (2019)

MPG.PuRe

Journal Article

Polarization-state-resolved high-harmonic spectroscopy of solids

N. Klemke, N. Tancogne-Dejean, G. M. Rossi, Y. Yang, F. Scheiba, R. E. Mainz, G. Di Sciacca, A. Rubio, F. X. Kärtner, O. D. Mücke

Nature Communications 10, 1319 (2019)

MPG.PuRe

Journal Article

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019)

MPG.PuRe

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)

MPG.PuRe

ZIP

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)

MPG.PuRe

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)

MPG.PuRe

Journal Article

Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states

D. Shin, S. Sato, H. Hübener, U. de Giovannini, J. Kim, N. Park, A. Rubio

Proceedings of the National Academy of Sciences of the United States of America 116 (10), 4135–4140 (2019)

MPG.PuRe

Journal Article

Nonadiabatic quantum dynamics without potential energy surfaces

G. Albareda Piquer, A. Kelly, A. Rubio

Physical Review Materials 3 (2), 023803 (2019)

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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)

MPG.PuRe

post-print

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)

MPG.PuRe

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)

MPG.PuRe

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)

MPG.PuRe

pre-print

Journal Article

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications

R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, H. Appel

Advances in Physics 68 (4), 225–333 (2019)

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