Dissipative quantum dynamics with the surrogate Hamiltonian approach. A comparison between spin and harmonic baths

Gelman, David; Koch, Christiane P.; Kosloff, Ronnie

doi:10.1063/1.1759312

Cited by 52 publications

(46 citation statements)

References 57 publications

(96 reference statements)

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“…Specifically, it has been shown in several works [31][32][33] that in the non-adiabatic regime the subsystem coherent-incoherent crossover is shifted to stronger coupling when increasing the temperature of the attached spin bath. In other studies it has been argued that harmonic oscillators and spin baths lead to a similar reduced dynamics (energy relaxation, decoherence, entanglement) in the weak-tointermediate coupling regime [26]. Overall, while differences exist, the reduced dynamics does not readily evince on the physical nature of the environment.…”

Section: Introductionmentioning

confidence: 90%

“…To understand heat transport in actual nanostructures, it is of interest to explore transport behavior between other reservoirs, particularly considering anharmonic environments. While the reduced dynamics may conceal the nature of the bath [26], in this work we show that in an out-of-equilibrium situation the steady-state heat current displays marked, qualitative contrasts, when the subsystem is attached to distinct environments.…”

Section: Introductionmentioning

confidence: 92%

“…Further, it is important to consider more-involved models for the reservoirs and mimic complex and realistic environments [27,28,30]: to consider baths with both harmonic and anharmonic components [56], and allow for interactions between sub-units in the bath [26,57].…”

Section: Discussionmentioning

confidence: 99%

“…To include anharmonicities [26][27][28] and account for other relevant media with localized modes, spin glasses or magnetic materials, a different reservoir has been proposed: a spin-bath model [29,30]. In its simple form this reservoir includes a collection of non-interacting spins, and it may be viewed as the extreme anharmonic limit of the harmonic bath, with each vibration truncated to its lowest two states.…”

Section: Introductionmentioning

confidence: 99%

“…The problem has been addressed using the resolvent operator approach [31], and in the non-adiabatic limit with the non-interacting blip approximation (NIBA) [32]. Numerically-exact simulations were performed using various tools: iterative path integral methods [32], the multilayer multiconfiguration time-dependent Hartree theory (ML-MCTDH) [33], and the surrogate Hamiltonian approach [26]. Bloch-Redfield equations, perturbative in the subsystem-bath interaction energy, were presented in Ref.…”

Section: Introductionmentioning

confidence: 99%

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Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Segal

2014

The Journal of Chemical Physics

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We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

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Section: Introductionmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 92%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Segal

2014

The Journal of Chemical Physics

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Bibliometrics and Citation Analysis: From the Science Citation Index to Cybermetrics

Nicolaisen¹

2009

J. Am. Soc. Inf. Sci.

131

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Dephasing and Dissipation in a Source–Drain Model of Light‐Harvesting Systems

Xiong¹,

Chen²,

Zhao³

2014

ChemPhysChem

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The energy transport process in natural-light-harvesting systems is investigated by solving the time-dependent Schrödinger equation for a source-network-drain model incorporating the effects of dephasing and dissipation, owing to coupling with the environment. In this model, the network consists of electronically coupled chromophores, which can host energy excitations (excitons) and are connected to source channels, from which the excitons are generated, thereby simulating exciton creation from sunlight. After passing through the network, excitons are captured by the reaction centers and converted into chemical energy. In addition, excitons can reradiate in green plants as photoluminescent light or be destroyed by nonphotochemical quenching (NPQ). These annihilation processes are described in the model by outgoing channels, which allow the excitons to spread to infinity. Besides the photoluminescent reflection, the NPQ processes are the main outgoing channels accompanied by energy dissipation and dephasing. From the simulation of wave-packet dynamics in a one-dimensional chain, it is found that, without dephasing, the motion remains superdiffusive or ballistic, despite the strong energy dissipation. At an increased dephasing rate, the wave-packet motion is found to switch from superdiffusive to diffusive in nature. When a steady energy flow is injected into a site of a linear chain, exciton dissipation along the chain, owing to photoluminescence and NPQ processes, is examined by using a model with coherent and incoherent outgoing channels. It is found that channel coherence leads to suppression of dissipation and multiexciton super-radiance. With this method, the effects of NPQ and dephasing on energy transfer in the Fenna-Matthews-Olson complex are investigated. The NPQ process and the photochemical reflection are found to significantly reduce the energy-transfer efficiency in the complex, whereas the dephasing process slightly enhances the efficiency. The calculated absorption spectrum reproduces the main features of the measured counterpart. As a comparison, the exciton dynamics are also studied in a linear chain of pigments and in a multiple-ring system of light-harvesting complexes II (LH2) from purple bacteria by using the Davydov D1 ansatz. It is found that the exciton transport shows superdiffusion characteristics in both the chain and the LH2 rings.

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Dissipative quantum dynamics with the surrogate Hamiltonian approach. A comparison between spin and harmonic baths

Abstract: The dissipative quantum dynamics of an anharmonic oscillator coupled to a bath is studied with the purpose of elucidating the differences between the relaxation to a spin bath and to a harmonic

Cited by 52 publications

References 57 publications

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Bibliometrics and Citation Analysis: From the Science Citation Index to Cybermetrics

Dephasing and Dissipation in a Source–Drain Model of Light‐Harvesting Systems

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