A continued fraction resummation form of bath relaxation effect in the spin-boson model
TLDR
In this paper, a continued fraction form is proposed to systematically resum high-order quantum kinetic expansion (QKE) rate kernels, accounting for the bath relaxation effect beyond the second-order perturbation.Abstract:
In the spin-boson model, a continued fraction form is proposed to systematically resum high-order quantum kinetic expansion (QKE) rate kernels, accounting for the bath relaxation effect beyond the second-order perturbation. In particular, the analytical expression of the sixth-order QKE rate kernel is derived for resummation. With higher-order correction terms systematically extracted from higher-order rate kernels, the resummed quantum kinetic expansion approach in the continued fraction form extends the Pade approximation and can fully recover the exact quantum dynamics as the expansion order increases.read more
Citations
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Extended hierarchy equation of motion for the spin-boson model
TL;DR: An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element.
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Spin-selective electron transfer reactions of radical pairs: Beyond the Haberkorn master equation
TL;DR: In this article, a general spin state selective electron transfer reaction of a radical pair and use Nakajima-Zwanzig theory to derive the master equation for the spin density operator was considered.
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Spin-selective electron transfer reactions of radical pairs: beyond the Haberkorn master equation.
TL;DR: By performing simulations of radical pair reactions with the exact hierarchical equations of motion method, it is demonstrated that the master equations provide a very accurate description of radical pairs undergoing spin-selective non-adiabatic electron transfer reactions.
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Convergence of high order perturbative expansions in open system quantum dynamics
TL;DR: A new method to directly calculate high order perturbative expansion terms in open system quantum dynamics by extending the hierarchical equation of motion (HEOM) approach is proposed.
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Condensed phase electron transfer beyond the Condon approximation.
TL;DR: A formalism to treat condensed-phase dynamics beyond the Condon approximation is developed and it is shown that even for an extremely simple test system, hexaaquairon(ii)/hexaaquAiron(iii) self-exchange in water, the electronic coupling is expected to fluctuate rapidly and non-Condon effects must be considered to obtain quantitatively accurate ultrafast nonequilibrium dynamics.
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