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• W167212729 abstract "We present an approach based on the quadratic vibronic coupling (QVC) Hamiltonian [New J Chem 17:7–29,1993] and the effective-mode formalism [Phys Rev Lett 94:113003, 2005] for the short-time dynamics through conical intersections in complex molecular systems. Within this scheme the nuclear degrees of freedom of the whole system are split as system modes and as environment modes. To describe the short-time dynamics in the macrosystem precisely, only three effective environmental modes together with the system’s modes are needed. Based on this decomposition, in the cumulant expansion of the autocorrelation function, the exact cumulants are recovered up to the second order. To demonstrate the capability of our method and for comparison with other results, the pyrazine molecule is chosen as a numerical example." @default.
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• W167212729 date "2011-09-17" @default.
• W167212729 modified "2023-10-17" @default.
• W167212729 title "Short-Time Dynamics Through Conical Intersections in Macrosystems: Quadratic Coupling Extension" @default.
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• W167212729 doi "https://doi.org/10.1007/978-94-007-2076-3_16" @default.
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