Nonadiabatic molecular dynamics simulation of ultrafast pump-probe experiments on I2 in solid rare gases
Batista V, Coker D. Nonadiabatic molecular dynamics simulation of ultrafast pump-probe experiments on I2 in solid rare gases. The Journal Of Chemical Physics 1997, 106: 6923-6941. DOI: 10.1063/1.473717.Peer-Reviewed Original ResearchPump-probe experimentsUltrafast pump-probe experimentsNonadiabatic molecular dynamics simulationsIon-pair statesNonadiabatic molecular dynamicsSolid rare gasesSemiempirical diatomicsElectronic structure techniquesRare gas matricesAbsorption signalPair statesRare gasesDetailed microscopic analysisGolden rule resultsMatrix elementsRemarkable agreementMolecular dynamics simulationsRecent experimental studiesGas matricesStructure techniqueMolecular dynamicsBody dynamicsCrystal systemDIM methodDynamics simulations