2011
DOI: 10.1063/1.3626825
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Time-dependent fluorescence in nanoconfined solvents: Linear-response approximations and Gaussian statistics

Abstract: The time-dependent fluorescence of a model dye molecule in a nanoconfined solvent is used to test approximations based on the dynamic and static linear-response theories and the assumption of Gaussian statistics. Specifically, the results of nonequilibrium molecular-dynamics simulations are compared to approximate expressions involving time correlation functions obtained from equilibrium simulations. Solvation dynamics of a model diatomic dye molecule dissolved in acetonitrile confined in a spherical hydrophob… Show more

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Cited by 20 publications
(53 citation statements)
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“…For a more detailed description the reader is referred to the literature. 30,37,38 Generally, the energy of the system can be written as the Hamiltonian corresponding to the ground state, H g , as well as a perturbation that is turned on at the moment of excitation: [37][38][39]…”
Section: Theorymentioning
confidence: 99%
“…For a more detailed description the reader is referred to the literature. 30,37,38 Generally, the energy of the system can be written as the Hamiltonian corresponding to the ground state, H g , as well as a perturbation that is turned on at the moment of excitation: [37][38][39]…”
Section: Theorymentioning
confidence: 99%
“…All these predictions go beyond the standard expectations of L-models, 40,41,43 implying that the dynamics are nonlinear. We find all these predictions to hold when tested against MD simulations: all correlation functions depend on the electronic state of the chromophore (cf.…”
Section: Dynamicsmentioning
confidence: 99%
“…It is commonly assumed that the correlation function C 2,i (t) in eq (13) does not depend on the electronic state, 40,41 C 2,g (t, 0) = C 2,e (t, 0) = C 2 (t, 0), which is true for the L-models. Further, the linear response approximation 42 in Ω(q) relates non-equilibrium dynamics of the spectral maximum to the equilibrium two-point correlation function, 41,43,45 as is also derived in the Supporting Information (SI)…”
Section: Time-resolved Lineshapesmentioning
confidence: 99%
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