162 citations · 257 across the 16 of their papers we have counts for
7 papers · 1 filter
Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields
Philipp Marquetand, Martin Richter, Jesús González-Vázquez +2
Nonadiabatic ab initio molecular dynamics (MD) including spin-orbit coupling (SOC) and laser fields is investigated as a general tool for studies of excited-state processes. Up to…
Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
Martin Richter, Philipp Marquetand, Jesús González-Vazquez +2
Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings on equal footing is used to unravel the deactivation of cytosine after UV light absorption. Intersyste…
Anti-alignment driven dynamics in the excited states of molecules under strong fields
Sebastián Carrasco, José Rogan, Juan Alejandro Valdivia +1
We develop two novel models of the H molecule and its isotopes from which we assess quantum-mechanically and semi-classically whether the molecule anti-aligns with the field…
Control defeseance by anti-alignment in the excited state
Bo Y. Chang, Seokmin Shin, Jesús González-Vázquez +3
We predict anti-alignment dynamics in the excited state of H2+ or related homonuclear dimers in the presence of a strong field. This effect is a general indirect outcome of the str…
A grid-based Ehrenfest model to study electron-nuclear processes
Bo Y. Chang, Seokmin Shin, Vladimir S. Malinovsky +1
The two-dimensional electron-nuclear Schrödinger equation using soft-core Coulomb potentials has been a cornerstone for modeling and predicting the behavior of one-active-electron…
Geometrical optimization approach to isomerization: Models and limitations
Bo Y. Chang, Seokmin Shin, Volker Engel +1
We study laser-driven isomerization reactions through an excited electronic state using the recently developed Geometrical Optimization procedure [J. Phys. Chem. Lett. 6, 1724 (201…
Lighting the Landscape: Molecular Events Under Dynamic Stark Shifts
Bo Y. Chang, Ignacio R. Sola, Seokmin Shin
A new perspective on how to manipulate molecules by means of very strong laser pulses is emerging with insights from the so-called light-induced potentials, which are the adiabatic…