Publications: Foundations of Time-dependent Density Functional Theory


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These papers are ordered by article relevance.

Dissipation and spontaneous emission in quantum electrodynamical density functional theory based on optimized effective potential: A proof of concept study
A. Kudlis, I. Iorsh, I. V. Tokatly
Physical Review B 105, (2022)
Spin-orbit induced equilibrium spin currents in materials
A. Droghetti, I. Rungger, A. Rubio, I. V. Tokatly
Physical Review B 105, 024409 (2022)
Making ab initio QED functional(s): Non-perturbative and photon-free effective frameworks for strong light-matter coupling
Christian Schäfer, Florian Buchholz, Markus Penz, Michael Ruggenthaler, Angel Rubio
Proceedings Of The National Academy Of Sciences Of The United States Of America 118 (41), e2110464118 (2021)
The ferroelectric photo ground state of SrTiO3: Cavity materials engineering
Simone Latini, Dongbin Shin,Shunsuke A. Sato,Christian Schäfer,Umberto De Giovannini, Hannes Hübener, Angel Rubio
Proceedings Of The National Academy Of Sciences Of The United States Of America 118 (31), e2105618118 (2021)
Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO 3
Dongbin Shin, Simone Latini, Christian Schafer, Shunsuke A. Sato, Edoardo Baldini, Umberto De Giovannini, Hannes Hubener, Angel Rubio
Physical Review Letters (submitted), (2021)
Light-driven extremely nonlinear bulk photogalvanic currents
Ofer Neufeld, Nicolas Tancogne-Dejean, Umberto De Giovannini, Hannes Hubener, Angel Rubio
Physical Review Letters 127, 126601 (2021)
Identification of the Mott insulating CDW state in 1T-TaS 2
Dongbin Shin, Nicolas Tancogne-Dejean, Jin Zhang, Mahmut Sait Okyay, Angel Rubio, Noejung Park
Physical Review Letters 126 , 196406 (2021)
Simulating Vibronic Spectra without Born-Oppenheimer Surfaces
Kevin Lively, Guillermo Albareda, Shunsuke A. Sato, Aaron Kelly, Angel Rubio
Journal Of Physical Chemistry Letters 12,12, 3074 - 3081 (2021)
Photoionization and transient Wannier-Stark ladder in silicon: First principle simulations versus Keldysh theory
Thibault J.-Y. Derrien, Nicolas Tancogne-Dejean, Vladimir P. Zhukov, Heiko Appel, Angel Rubio, Nadezhda M. Bulgakova
Physical Review B (accepted), (2021)
High-order harmonic generation in graphene: nonlinear coupling of intra and interband transitions
Shunsuke A. Sato, Hideki Hirori, Yasuyuki Sanari, Yoshihiko Kanemitsu, Angel Rubio
Physical Review B 103, L041408 (2021)
Intermolecular interactions in optical cavities: an ab initio QED study
Tor S. Haugland, Christian Schäfer, Enrico Ronca, Angel Rubio, Henrik Koch
Journal of Chemical Physics 154,9, 094113 (2021)
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
Dominik Sidler, Michael Ruggenthaler, Christian Schäfer, Enrico Ronca, Angel Rubio
(submitted), (2021)
Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity
Christian Schäfer, Johannes Flick, Enrico Ronca, Prineha Narang, Angel Rubio
(submitted), (2021)
Excited-state band structure mapping
M. Puppin,C. W. Nicholson,C. Monney,Y. Deng,R. P. Xian,J. Feldl,S. Dong,A. Dominguez,H. Húbener,A. Rubio,M. Wolf,L. Rettig, R. Ernstorfer
Physical Review X(submitted), (2021)
In plane anisotropic optical and mechanical properties of two-dimensional MoO3
Sergio Puebla, Roberto D’Agosta, Riccardo Frisenda , Carmen Munuera,, Andres Castellanos-Gomez
Npj 2D Materials and Applications 5, 37 (2021)