Publications

2018

Journal Article

Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO₂ Nanoparticles

E. Baldini, T. Palmieri, A. Dominguez, P. Ruello, A. Rubio, M. Chergui

Nano Letters 18 (8), 5007–5014 (2018)

MPG.PuRe

DOI

pre-print

Journal Article

A shortcut to gradient-corrected magnon dispersion: exchange-only case

F. G. Eich, S. Pittalis, G. Vignale

European Physical Journal B 91 (8), 173 (2018)

MPG.PuRe

DOI

publisher-version

Journal Article

Light-matter interactions via the exact factorization approach

N. Hoffmann, H. Appel, A. Rubio, N. T. Maitra

The European Physical Journal B: Condensend Matter Physics 91 (8), 180 (2018)

MPG.PuRe

DOI

publisher-version

Journal Article

Kinetic-Energy Density-Functional Theory on a Lattice

I. Theophilou, F. Buchholz, F. G. Eich, M. Ruggenthaler, A. Rubio

Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

publisher-version

ZIP

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

pre-print

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)

MPG.PuRe

DOI

supplementary-material

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)

MPG.PuRe

DOI

Full

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

pre-print

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

publisher-version

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)

MPG.PuRe

DOI

publisher-version

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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supplementary-material

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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supplementary-material

Journal Article

Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation

J. Ducke, A. Riss, A. Pérez Paz, K. Seufert, M. Schwarz, M. Garnica, A. Rubio, W. Auwärter

ACS Nano 12 (3), 2677–2684 (2018)

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ZIP

Journal Article

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

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

ACS Photonics 5 (3), 992–1005 (2018)

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publisher-version

Journal Article (642)