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• W3100254224 abstract "We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain a self-consistent equation for the memory kernel which requires only knowledge of normally evolved auxiliary kernels. To illustrate the properties of the current approach, we focus on the spin-boson model and limit our attention to the use of a simple and inexpensive quasi-classical dynamics, given by the Ehrenfest method, for the calculation of the auxiliary kernels. For the first time, we provide a detailed analysis of the dependence of the properties of the memory kernels obtained via different projection operators, namely the thermal (Redfield-type) and population based (NIBA-type) projection operators. We further elucidate the conditions that lead to short-lived memory kernels and the regions of parameter space to which this program is best suited. Via a thorough analysis of the different closures available for the auxiliary kernels and the convergence properties of the self-consistently extracted memory kernel, we identify the mechanisms whereby the current approach leads to a significant improvement over the direct usage of standard semi- and quasi-classical dynamics." @default.
• W3100254224 created "2020-11-23" @default.
• W3100254224 creator A5014624803 @default.
• W3100254224 creator A5054378080 @default.
• W3100254224 date "2016-05-14" @default.
• W3100254224 modified "2023-09-23" @default.
• W3100254224 title "Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics" @default.
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• W3100254224 doi "https://doi.org/10.1063/1.4948408" @default.
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