2005
Model study of coherent quantum dynamics of hole states in functionalized semiconductor nanostructures
Rego L, Abuabara S, Batista V. Model study of coherent quantum dynamics of hole states in functionalized semiconductor nanostructures. The Journal Of Chemical Physics 2005, 122: 154709. PMID: 15945658, DOI: 10.1063/1.1873712.Peer-Reviewed Original ResearchSemiconductor band gapHole statesBand gapMixed quantum-classical methodDensity functional theory molecular dynamics simulationsCoherent quantum dynamicsInterfacial electron transferTheory molecular dynamics simulationsQuantum-classical methodProcess of photoexcitationHundreds of picosecondsElectron-hole pair separationQuantum dynamicsElectronic coherenceNuclear dynamicsSemiconductor nanostructuresInterband statesIntrinsic decoherenceElectronic statesRelaxation dynamicsHole tunnelingExperimental interestVacuum conditionsMolecular adsorbatesElectron transfer
2002
Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems
Batista V, Brumer P. Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems. Physical Review Letters 2002, 89: 143201. PMID: 12366043, DOI: 10.1103/physrevlett.89.143201.Peer-Reviewed Original ResearchCoherent controlExcited-state proton transfer dynamicsCoherent control scenarioProton transfer dynamicsDecoherence phenomenaDecoherence measuresSemiclassical approachIntrinsic decoherenceLarge molecular systemsExperimental interestTransfer dynamicsMolecular systemsProton transferTautomerization reactionDecoherenceLarge moleculesPhotoexcitation