Publications

ZIP

Journal Article

Role of intraband transitions in photocarrier generation

S. Sato, M. Lucchini, M. Volkov, F. Schlaepfer, L. Gallmann, U. Keller, A. Rubio

Physical Review B 98 (3), 035202 (2018)

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Journal Article

The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking

D. Bernhard, F. Dietrich, M. Fatima, C. Pérez, H. C. Gottschalk, A. Wuttke, R. A. Mata, M. A. Suhm, M. Schnell, M. Gerhards

Beilstein Journal of Organic Chemistry 14, 1642–1654 (2018)

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Journal Article

Transmission low-energy electron diffraction using double-gated single nanotip field emitter

C. Lee, S. Tsujino, R. J. D. Miller

Applied Physics Letters 113 (1), 013505 (2018)

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Journal Article

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

S. Sato, H. Hübener, A. Rubio, U. de Giovannini

European Physical Journal B 91 (6), 126 (2018)

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Journal Article

Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy

P. Pinacho, A. Krin, C. Pérez, S. Zinn, J. C. López, S. Blanco, M. Schnell

Physical Chemistry Chemical Physics 20 (23), 15635–15640 (2018)

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Journal Article

Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes

F. Covito, E. Perfetto, A. Rubio, G. Stefanucci

Physical Review A 97 (6), 061401 (2018)

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ZIP

Journal Article

Magnetophononics: Ultrafast spin control through the lattice

M. Fechner, A. Sukhov, L. Chotorlishvili, C. Kenel, J. Berakdar, N. A. Spaldin

Physical Review Materials 2 (6), 064401 (2018)

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Journal Article

A spatio-spectral polarization analysis of 1 µm-pumped bulk supercontinuum in a cubic crystal (YAG)

A. Choudhuri, G. Chatterjee, J. Zheng, I. Hartl, A. Ruehl, R. J. D. Miller

Applied Physics B: Lasers and Optics 124 (6), 103 (2018)

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Journal Article

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

A. G. Pueyo, M. A. L. Marques, A. Rubio, A. Castro

Journal of Chemical Theory and Computation 14 (6), 3040–3052 (2018)

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Journal Article

Formal Equivalence Between Partitioned and Partition-Free Quenches in Quantum Transport

M. Ridley, R. Tuovinen

Journal of Low Temperature Physics 191 (5-6 (SI), 380–392 (2018)

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Journal Article

Attosecond optical-field-enhanced carrier injection into the GaAs conduction band

F. Schlaepfer, M. Lucchini, S. Sato, M. Volkov, L. Kasmi, N. Hartmann, A. Rubio, L. Gallmann, U. Keller

Nature Physics 14 (6), 560–564 (2018)

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Journal Article

UV-Photochemistry of the Disulfide Bond: Evolution of Early Photoproducts from Picosecond X-ray Absorption Spectroscopy at the Sulfur K-Edge

M. Ochmann, A. Hussain, I. von Ahnen, A. A. Cordones, K. Hong, J. H. Lee, R. Ma, K. Adamczyk, T. K. Kim, R. W. Schoenlein, O. Vendrell, N. Huse

Journal of the American Chemical Society 140 (21), 6554–6561 (2018)

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Journal Article

Origin of poor doping efficiency in solution processed organic semiconductors

A. Jha, H.-G. Duan, V. Tiwari, M. Thorwart, R. J. D. Miller

Chemical Science 9 (19), 4468–4476 (2018)

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Journal Article

Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex

A. A. Cordones, J. H. Lee, K. Hong, H. Cho, K. Garg, M. Boggio-Pasqua, J. J. Rack, N. Huse, R. W. Schoenlein, T. K. Kim

Nature Communications 9, 1989 (2018)

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ZIP

Journal Article

Band structure dynamics in indium wires

M. Chavez Cervantes, R. Krause, S. Aeschlimann, I. Gierz

Phys Rev B 97 (20), 201401(R) (2018)

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Journal Article

Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

Y. Miyamoto, A. Rubio

Journal of the Physical Society of Japan 87 (4), 041016 (2018)

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Full

Journal Article

Efficient characterisation of large deviations using population dynamics

T. Brewer, S. R. Clark, R. Bradford, R. L. Jack

Journal of Statistical Mechanics: Theory and Experiment, 053204 (2018)

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Journal Article

Transient Charge and Energy Flow in the Wide-Band Limit

F. Covito, F. G. Eich, R. Tuovinen, M. A. Sentef, A. Rubio

Journal of Chemical Theory and Computation 14 (5), 2495–2504 (2018)

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Journal Article

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

C. D. Pemmaraju, F. D. Vila, J. J. Kas, S. Sato, J. J. Rehr, K. Yabana, D. Prendergast

Computer Physics Communications 226, 30–38 (2018)

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Journal Article

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

S. Sato, A. Kelly, A. Rubio

Physical Review B 97 (13), 134308 (2018)

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Journal Article

Ultrafast Doublon Dynamics in Photoexcited 1T-TaS2

M. Ligges, I. Avigo, D. Golež, H. U. R. Strand, Y. Beyazit, K. Hanff, F. Diekmann, L. Stojchevska, M. Kalläne, P. Zhou, K. Rossnagel, M. Eckstein, P. Werner, U. Bovensiepen

Physical Review Letters 120 (16), 166401 (2018)

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Journal Article

Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective

L. Escalera-Moreno, J. Baldovi, A. Gaita-Ariño, E. Coronado

Chemical Science 9 (13), 3265–3275 (2018)

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Journal Article

Unifying neural-network quantum states and correlator product states via tensor networks

S. R. Clark

Journal of Physics A 51 (13), 135301 (2018)

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Journal Article

Soft Picosecond Infrared Laser Extraction of Highly Charged Proteins and Peptides from Bulk Liquid Water for Mass Spectrometry

Y. Lu, C. L. Pieterse, W. Robertson, R. J. D. Miller

Analytical Chemistry 90 (7), 4422–4428 (2018)

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Journal Article

Picosecond Infrared Laser (PIRL) Application in Stapes Surgery—First Experience in Human Temporal Bones

H. Petersen, A. Gliese, Y. Stober, S. Maier, N.-O. Hansen, S. Kruber, D. Eggert, M. Tóth, T. Gosau, H. Schlüter, K. Püschel, U. Schumacher, R. J. D. Miller, A. Münscher, C. Dalchow

Otology & Neurotology 39 (4), e224–e230 (2018)

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Journal Article

Stimulated X-Ray Emission Spectroscopy in Transition Metal Complexes

T. Kroll, C. Weninger, R. Alonso-Mori, D. Sokaras, D. Zhu, L. Mercadier, V. P. Majety, A. Marinelli, A. Lutman, M. W. Guetg, F.-J. Decker, S. Boutet, A. Aquila, J. Koglin, J. Koralek, D. P. DePonte, J. Kern, F. D. Fuller, E. Pastor, T. Fransson, Y. Zhang, J. Yano, V. K. Yachandra, N. Rohringer, U. Bergmann

Physical Review Letters 120 (13), 133203 (2018)

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Journal Article

Femtosecond profiling of shaped x-ray pulses

M. C. Hoffmann, I. Grguraš, C. Behrens, C. Bostedt, J. Bozek, H. Bromberger, R. Coffee, J. .T. Costello, L. F. DiMauro, Y. Ding, G. Doumy, W. Helml, M. Ilchen, R. Kienberger, S. Lee, A. R. Maier, T. Mazza, M. Meyer, M. Messerschmidt, S. Schorb, W. Schweinberger, K. Zhang, A. L. Cavalieri

New Journal of Physics 20 (3), 033008 (2018)

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Journal Article

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study

I. Theophilou, N. N. Lathiotakis, N. Helbig

The Journal of Chemical Physics 148 (11), 114108 (2018)

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Journal Article

Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)

M. Schwarz, M. Garnica, D. A. Duncan, A. P. Paz, J. Ducke, P. S. Deimel, P. K. Thakur, T.-L. Lee, A. Rubio, J. V. Barth, F. Allegretti, W. Auwärter

The Journal of Physical Chemistry C 122 (10), 5452–5461 (2018)

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Journal Article

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

F. S. Krasniqi, Y. P. Zhong, S. W. Epp, L. Foucar, M. Trigo, J. Chen, D. A. Reis, H. L. Wang, J. H. Zhao, H. T. Lemke, D. Zhu, M. Chollet, D. M. Fritz, R. Hartmann, L. Englert, L. Strüder, I. Schlichting, J. Ullrich

Physical Review Letters 120 (10), 105501 (2018)

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Journal Article

From a quantum-electrodynamical light–matter description to novel spectroscopies

M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, A. Rubio

Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)

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