292 citations · 513 across the 10 of their papers we have counts for
11 papers
Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?
Sandra Gómez, Nadja Singer, Leticia González +1
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmet…
Nonadiabatic forward flux sampling for excited-state rare events
Madlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher +4
We present a rare event sampling scheme applicable to coupled electronic excited states. In particular, we extend the forward flux sampling (FFS) method for rare event sampling to…
Magnetized vector boson gas at any temperature
G. Quintero Angulo, L. C. Suárez González, A. Pérez Martínez +1
We study the thermodynamic properties of a relativistic magnetized neutral vector boson gas at any temperature. By comparing the results with the low temperature and the non relati…
Photoinduced ultrafast dynamics and control of chemical reactions: from quantum to classical dynamics
Leticia González, Philipp Marquetand
This perspective on laser control provides a quick overview over different schemes for coherent control of chemical reactions and photophysical processes. It originally appeared in…
Quantitative wave function analysis for excited states of transition metal complexes
Sebastian Mai, Felix Plasser, Johann Dorn +3
The character of an electronically excited state is one of the most important descriptors employed to discuss the photophysics and photochemistry of transition metal complexes. In…
Ultrafast Intersystem Crossing in SO and Nucleobases
Sebastian Mai, Martin Richter, Philipp Marquetand +1
Mixed quantum-classical dynamics simulations show that intersystem crossing between singlet and triplet states in SO and in nucleobases takes place on an ultrafast timescale (f…