Q-Band relaxation in chlorophyll: new insights from multireference quantum dynamics
Sebastian Reiter, Lena Bäuml, Jürgen Hauer, Regina de Vivie‐Riedle
Abstract
The ultrafast relaxation within the Q-bands of chlorophyll plays a crucial role in photosynthetic light-harvesting. We investigate this process via nuclear and electronic quantum dynamics on multireference potential energy surfaces.
Topics & Concepts
Relaxation (psychology)QuantumChemistryComputational chemistryDynamics (music)Multireference configuration interactionChemical physicsPhysicsQuantum mechanicsDensity functional theoryBiologyNeuroscienceAcousticsBasis setSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chiralityPhotosynthetic Processes and Mechanisms