activity
20072024
most citedMultilayer multi-configuration time-dependent Hartree method: implementation and applications to a Henon-Heiles Hamiltonian and to pyrazine

376 citations · 2k across the 34 of their papers we have counts for

collaborators

34 papers

physics.optics2024★ 8 cited

Core-hole Coherent Spectroscopy in Molecules

Emilio Rodríguez-Cuenca, Antonio Picón, Solène Oberli +2

We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule. Using high-level \textit{ab-initio} methods, we show that th…

physics.chem-ph2024

Inverse optically-induced ring currents in ring-shaped molecules

Krishna Reddy Nandipati, Sudip Sasmal, Oriol Vendrell

Permanent electronic ring currents can be supported within a manifold of degenerate excited electronic states as excitations. This requires at least…

physics.chem-ph2024★ 5 cited

Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition

Sudip Sasmal, Markus Schröder, Oriol Vendrell

We propose an approach to represent the second-quantized electronic Hamiltonian in a compact sum-of-products (SOP) form. The approach is based on the canonical polyadic decompositi…

physics.chem-ph2023

Modification of Thermal Chemical Rates in a Cavity via Resonant Effects in the Collective Regime

Jing Sun, Oriol Vendrell

The modification of thermal chemical rates in Fabry-Perot cavities, as observed in experiments, still poses theoretical challenges. While we have a better grasp of how the reactivi…

physics.atom-ph2023★ 1 cited

Time-Resolved Rubidium-Assisted Electron Capture by Barium (II) Cation

Axel Molle, Jan Philipp Drennhaus, Viktoria Noel +2

Non-local energy transfer between bound electronic states close to the ionisation threshold is employed for efficient state preparation in dilute atom systems from technological fo…

quant-ph2023

Mixed Quantum-Classical Dynamics for Near Term Quantum Computers

Daniel Bultrini, Oriol Vendrell

Mixed quantum-classical dynamics is a set of methods often used to understand systems too complex to treat fully quantum mechanically. Many techniques exist for full quantum mechan…