activity
20232026
most citedOrbital-optimized versus time-dependent density functional calculations of intramolecular charge transfer excited states

30 citations · 36 across the 3 of their papers we have counts for

collaborators
Showing 2026Show all

2 papers · 1 filter

physics.chem-ph2026

Simulated Solvation Dynamics of a Photoexcited Organic Molecule and the Associated Time-Resolved X-ray Scattering Signal

Simon Petry, Magnús Kristinsson, Asmus O. Dohn +3

Solvation shell reorganization is a key component of the dynamics after photoexcitation of a solvated molecule, especially for charge-transfer excitation in polar solvents. These s…

physics.chem-ph2026

Orbital-optimized density functional calculations of excited electronic states: Recent advances and perspectives

Lorenzo Restaino, Giulia Gamboni, Elli Selenius +1

Orbital-optimized (OO) density functional calculations provide a time-independent, variational route to electronic excitations, alternative to presently widely used time-dependent…