Publications 2018


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These papers are ordered by article relevance.

A Definition of the Magnetic Transition Temperature Using Valence Bond Theory
Joaquim Jornet-Somoza, Mercè Deumal, Juan Borge,, Michael A. Robb
Journal Of Physical Chemistry A (Accepted), (2018)
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
Yoshiyuki Miyamoto, Angel Rubio
Journal Of The Physical Society Of Japan 87, 041016 (2018)
Exchange-correlation functionals of i-DFT for asymmetrically coupled leads
S. Kurth, D. Jacob
European Physical Journal B 91, 101 (2018)
Time-dependent i-DFT exchange-correlation potentials with memory: Applications to the out-of-equilibrium Anderson model
S. Kurth, G. Stefanucci
European Physical Journal B 91, 118 (2018)
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
Shunsuke A. Sato, Hannes Húbener, Angel Rubio, Umberto De Giovannini
European Physical Journal B 91: 126 (2018)
Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
Johannes Flick,Christian Schäfer,Michael Ruggenthaler,Heiko Appel, Angel Rubio
ACS Photonics 5, 992 - 1005 (2018)
Atomic-like high-harmonic generation from two-dimensional materials
Nicolas Tancogne-Dejean, Angel Rubio
Science Advances 4, (2018)
From a quantum-electrodynamical light–matter description to novel spectroscopies
Michael Ruggenthaler,Nicolas Tancogne-Dejean,Johannes Flick,Heiko Appel, Angel Rubio
Nature Reviews Chemistry 2, 0118 (2018)
Exciton Control in a Room-Temperature Bulk Semiconductor with Coherent Strain Pulses
Edoardo Baldini,Adriel Dominguez,Tania Palmieri,Oliviero Cannelli,Angel Rubio,Pascal Ruello, Majed Chergui
(submitted), (2018)
Insights from ab-initio non-relativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics
Christian Schäfer,Michael Ruggenthaler, Angel Rubio
(submitted), (2018)
Light-Matter Response Functions in Quantum-Electrodynamical Density-Functional Theory: Modi cations of Spectra and of the Maxwell Equations
Johannes Flick,Davis M. Welakuh,Michael Ruggenthaler,Heiko Appel, Angel Rubio
(submitted), (2018)
Non-equilibrium Green's functions for spin transport and dynamics
Ivan Rungger, Andrea Droghetti, Maria Stemanova
Springer Handbook of Materials. Volume 1 Methods: Theory and Modelling , Ed. W. Andreoni and S. Yip. Vol. submitted (2018)
Predicting the conductance of strongly correlated molecules: the Kondo effect in PTM/Au junctions
Wilhelm H. Appelt, Andrea Droghetti, Liviu Chioncel, Milos M. Radonjic, Enrique Munoz, Stefan Kirchner, Dieter Vollhardt, Ivan Rungger
submitted, (2018)
Quantum transport simulations of nano-systems: an introduction to the Green's function approach (Invited contribution)
Andrea Droghetti
21st Century Nanoscience Book , Ed. K. Sattler, Vol. submitted, (2018)
Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls
A. I. Siahlo, N. A. Poklonski, A. V. Lebedev, I. V. Lebedeva, A. M. Popov, S. A. Vyrko, A. A. Knizhnik, Yu. E. Lozovik
2, 036001 (2018)