TDDFT-Based Spin-Orbit Couplings of 0D, 1D, and 2D Carbon Nanostructures: Static and Dynamical Effects
- Felipe Franco De Carvalho
- Carlo A. Pignedoli
- et al.
- 2017
- Journal of Physical Chemistry C
Publications
113 results for Ivano Tavernelli
Photophysics of a copper phenanthroline elucidated by trajectory and wavepacket-based quantum dynamics: A synergetic approach
- Gloria Capano
- T.J. Penfold
- et al.
- 2017
- Physical Chemistry Chemical Physics
Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture
- Guillermo Albareda
- Ali Abedi
- et al.
- 2016
- Physical Review A
On the geometrization of quantum mechanics
- Ivano Tavernelli
- 2016
- Annals of Physics
Stochastic Matrix-Function Estimators: Scalable Big-Data Kernels with High Performance
- Peter Staar
- Panagiotis Kl. Barkoutsos
- et al.
- 2016
- IPDPS 2016
Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer
- Nikolaj Moll
- Andreas Fuhrer
- et al.
- 2016
- Journal of Physics A
Decoherence, control and attosecond probing of XUV-induced charge migration in biomolecules. A theoretical outlook
- Manuel Lara-Astiaso
- David Ayuso
- et al.
- 2016
- Faraday Discussions
Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation
- F. Franco De Carvalho
- Ivano Tavernelli
- 2015
- Journal of Chemical Physics
Probing wavepacket dynamics using ultrafast x-ray spectroscopy
- Gloria Capano
- C.J. Milne
- et al.
- 2015
- Journal of Physics B
Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine
- Basile F. E. Curchod
- T.J. Penfold
- et al.
- 2015
- ChemPhysChem