Photochemical and photophysical properties of cis-stilbene molecule by electronic structure calculations and nonadiabatic surface-hopping dynamics simulations
Yan Liu, Shu‐Hua Xia, Yan Zhang
Topics & Concepts
Surface hoppingChemistryExcited statePotential energy surfaceConical intersectionPhotoisomerizationElectronic structureGround stateMoleculeMolecular physicsPhotochemistryMolecular dynamicsChemical physicsAtomic physicsComputational chemistryIsomerizationPhysicsCatalysisBiochemistryOrganic chemistryPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research