Publikationen

Zeitschriftenartikel

The spontaneous symmetry breaking in Ta₂NiSe₅ is structural in nature

E. Baldini, A. Zong, D. Choi, C. Lee, M. H. Michael, L. Windgätter, I. I. Mazin, S. Latini, D. Azoury, B. Lv, A. Kogar, Y. Su, Y. Wang, Y. Lu, T. Takayama, H. Takagi, A. J. Millis, A. Rubio, E. Demler, N. Gedik

Proceedings of the National Academy of Sciences of the United States of America 120 (17), e2221688120 (2023)

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Zeitschriftenartikel

Extended regime of metastable metallic and insulating phases in a two-orbital electronic system

M. Vandelli, J. Kaufmann, V. Harkov, A. I. Lichtenstein, K. Held, E. A. Stepanov

Physical Review Research 5 (2), L022016 (2023)

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Zeitschriftenartikel

The Laplace Method for Energy Eigenvalue Problems in Quantum Mechanics

J. Canfield, A. Galler, J. K. Freericks

Quantum Reports 5 (2), 370–397 (2023)

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Zeitschriftenartikel

Theory of nematic charge orders in kagome metals

F. Grandi, A. Consiglio, M. A. Sentef, R. Thomale, D. M. Kennes

Physical Review B 107 (15), 155131 (2023)

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Zeitschriftenartikel

Constructing semilocal approximations for noncollinear spin density functional theory featuring exchange-correlation torques

N. Tancogne-Dejean, A. Rubio, C. A. Ullrich

Physical Review B 107 (16), 165111 (2023)

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Zeitschriftenartikel

Multiscale dynamical symmetries and selection rules in nonlinear optics

G. Lerner, O. Neufeld, L. Hareli, G. Shoulga, E. Bordo, A. Fleischer, D. Podolsky, A. Bahabad, O. Cohen

Science Advances 9 (15), eade0953 (2023)

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Zeitschriftenartikel

Floquet Engineering of Magnetism in Topological Insulator Thin Films

X. Liu, B. Fan, H. Hübener, U. de Giovannini, W. Duan, A. Rubio, P. Tang

Electronic Structure 5 (2), 024002 (2023)

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Zeitschriftenartikel

Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers

M. Rossmannek, F. Pavošević, A. Rubio, I. Tavernelli

The Journal of Physical Chemistry Letters 14 (14), 3491–3497 (2023)

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pre-print

Zeitschriftenartikel

Ultrafast electron localization and screening in a transition metal dichalcogenide

Z. Schumacher, S. Sato, S. Neb, A. Niedermayr, L. Gallmann, A. Rubio, U. Keller

Proceedings of the National Academy of Sciences of the United States of America 120 (15), e2221725120 (2023)

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Zeitschriftenartikel

The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory

M. Penz, E. I. Tellgren, M. A. Csirik, M. Ruggenthaler, A. Laestadius

ACS Physical Chemistry Au 3 (4), 334–337 (2023)

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Zeitschriftenartikel

Electronic Descriptors for Supervised Spectroscopic Predictions

C. M. de Armas-Morejón, L. A. Montero-Cabrera, A. Rubio, J. Jornet-Somoza

Journal of Chemical Theory and Computation 19 (6), 1818–1826 (2023)

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Zeitschriftenartikel

Attosecond magnetization dynamics in non-magnetic materials driven by intense femtosecond lasers

O. Neufeld, N. Tancogne-Dejean, U. de Giovannini, H. Hübener, A. Rubio

npj Computational Materials 9 (1), 39 (2023)

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Zeitschriftenartikel

Rashba spin-orbit coupling in the square-lattice Hubbard model: A truncated-unity functional renormalization group study

J. Beyer, J. Hauck, L. Klebl, T. Schwemmer, D. M. Kennes, R. Thomale, C. Honerkamp, S. Rachel

Physical Review B 107 (12), 125115 (2023)

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Zeitschriftenartikel

New perspectives in time-resolved laser-induced electron diffraction

U. de Giovannini, J. Küpper, A. Trabattoni

Journal of Physics B: Atomic, Molecular and Optical Physics 56 (5), 054002 (2023)

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Zeitschriftenartikel

Eliminating Artificial Boundary Conditions in Time-Dependent Density Functional Theory Using Fourier Contour Deformation

J. Kaye, A. Barnett, L. Greengard, U. de Giovannini, A. Rubio

Journal of Chemical Theory and Computation 19 (5), 1409–1420 (2023)

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pre-print

Zeitschriftenartikel

Witnessing Nonequilibrium Entanglement Dynamics in a Strongly Correlated Fermionic Chain

D. R. Baykusheva, M. Kalthoff, D. Hofmann, M. Claassen, D. M. Kennes, M. A. Sentef, M. Mitrano

Physical Review Letters 130 (10), 106902 (2023)

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Zeitschriftenartikel

Photoinduced Dynamics at the Water/TiO2(101) Interface

M. Wagstaffe, A. Dominguez-Castro, L. Wenthaus, S. Palutke, D. Kutnyakhov, M. Heber, F. Pressacco, S. Dziarzhytski, H. Gleißner, V. K. Gupta, H. Redlin, A. Dominguez, T. Frauenheim, A. Rubio, A. Stierle, H. Noei

Physical Review Letters 130 (10), 108001 (2023)

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ZIP

Zeitschriftenartikel

Ab initio study of water dissociation on a charged Pd(111) surface

K. Fidanyan, G. Liu, M. Rossi

The Journal of Chemical Physics 158 (9), 094707 (2023)

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Zeitschriftenartikel

Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble

A. Kotobi, L. Schwob, G. B. Vonbun-Feldbauer, M. Rossi, P. Gasparotto, C. Feiler, G. Berden, J. Oomens, B. Oostenrijk, D. Scuderi, S. Bari, R. H. Meißner

Communications Chemistry 6 (1), 46 (2023)

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