Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol
Georgia Christopoulou, Thierry Tran, Graham A. Worth
Abstract
Direct quantum dynamics have been used to generate coupled potential energy surfaces for the nonadiabatic photodissociation of phenol.
Topics & Concepts
Conical intersectionPhotodissociationExcited stateRelaxation (psychology)ChemistryWave packetQuantum dynamicsQuantumDegrees of freedom (physics and chemistry)PopulationSinglet statePotential energyMolecular dynamicsGaussianMolecular physicsComputational chemistryAtomic physicsPhysicsQuantum mechanicsPhotochemistryPsychologyDemographySociologySocial psychologySpectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer StudiesAdvanced Chemical Physics Studies