Zeitschrift für Naturforschung A · 1973 · 10 citations · 0 references
Natural SciencesChemistryPhysicsMolecular PhysicsQuantum ChemistryRadiation PhysicsBiological Effects Of RadiationRadiation ChemistryRadiation Damage In MaterialsRadiation Interaction With MatterRadiation SensitivityRadioactive DecayComputational Modeling Of Radiation DamageIrradiation DamageProbability Density AnalysisProbability Density EvolutionRadiation DamageRadiation Damage EffectsRadiation Damage MechanismsWannier Functions
If an electron initially was localized at one carbon atom of a benzene molecule, its probability density will quickly dissipate over the whole ring. A rough model calculation using Wannier functions yields T 1/2 ≳ 10 -16 sec for the decay of the original distribution. A similar spreading will happen to a defect electron produced locally at the bond between two atoms. This effect of “healing” should be taken into consideration when the mechanism of radiation damage in organic molecules is discussed.