Publications: Foundations of Time-dependent Density Functional Theory


Result pages: ‹ previous 1 2 next ›

These papers are ordered by article relevance.

Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties
Dominik Sidler, Christian Schäfer, Michael Ruggenthaler, Angel Rubio
ACS Nano (submitted), (2020)
Light-induced renormalization of the Dirac quasiparticles in the nodal-line semimetal ZrSiSe
G. Gatti, A. Crepaldi, M. Puppin, N. Tancogne-Dejean, L. Xian, S. Roth, S. Polishchuk, Ph. Bugnon, A. Magrez, H. Berger, F. Frassetto, L. Poletto, L. Moreschini, S. Moser, A. Bostwick, E. Rotenberg, A. Rubio, M. Chergui, M. Grioni
Physical Review Letters 125, 076401 (2020)
Mott metal-insulator transition from steady-state density functional theory
David Jacob, Gianluca Stefanucci, Stefan Kurth
Physical Review Letters 125, 216401 (2020)
Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst
Michael Wagstaffe, Lukas Wenthaus, Adrian Dominguez-Castro, Simon Chung, Guilherme Dalla Lana Semione, Steffen Palutke, Giuseppe Mercurio, Siarhei Dziarzhytski, Harald Redlin, Nicolai Klemke, Yudong Yang, Thomas Frauenheim, Adriel Dominguez, Franz Kärtner, Angel Rubio, Wilfried Wurth, Andreas Stierle,, Heshmat Noei
ACS Catalysis 10,22, 13650 - 13658 (2020)
Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics
Florian Buchholz, Iris Theophilou, Klaas J. H. Giesbertz, Michael Ruggenthaler, Angel Rubio
Journal Of Chemical Theory And Computation 16, 9, 5601 - 5620 (2020)
Ultrafast Transient Absorption Spectroscopy of the Charge-Transfer Insulator NiO: Beyond the Dynamical Franz-Keldysh Effect
Nicolas Tancogne-Dejean, Michael A. Sentef, Angel Rubio
Physical Review B 102 ,11, 115106 (2020)
Exchange-correlation potentials for multi-orbital quantum dots subject to generic density-density interactions and Hund’s rule coupling
Nahual Sobrino, Stefan Kurth, David Jacob
Physical Review B 102, 035159 (2020)
Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V
Nicolas Tancogne-Dejean, Angel Rubio
Physical Review B 102, 155117 (2020)
Exact exchange-correlation potential of effectively interacting Kohn-Sham systems
Shunsuke A. Sato, Angel Rubio
Physical Review A 101, 012510 (2020)
Effect of Many Modes on Self-Polarization and Photochemical Suppression in Cavities
Norah M. Hoffmann, Lionel Lacombe, Angel Rubio, Neepa T. Maitra
Journal of Chemical Physics 153, 10, 104103 (2020)
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, Angel Rubio
Journal of Chemical Physics 152, 124119 (2020)
Floquet states in dissipative open quantum systems
S. A. Sato, U. De Giovannini, S. Aeschlimann, I. Gierz, H. Hübener, A. Rubio
Journal of Physics B: Atomic Molecular and Optical Physics 53,22, (2020)
Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics
Christian Schäfer, Michael Ruggenthaler, Vasil Rokaj, Angel Rubio
ACS Photonics 7, 4, 975 - 990 (2020)
High-Harmonic generation from spin-polarised defects in solids
Mrudul M. S., Nicolas Tancogne-Dejean, Angel Rubio, Gopal Dixit
npj Quantum Materials 6, (2020)
High-order harmonic generation in graphene: nonlinear coupling of intra and interband transitions
Shunsuke A. Sato, Hideki Hirori, Yasuyuki Sanari, Yoshihiko Kanemitsu, Angel Rubio
(submitted), (2020)