Communication: Spin-boson model with diagonal and off-diagonal coupling to two independent baths: Ground-state phase transition in the deep sub-Ohmic regime

Zhao, Yue; Yao, Yao; Chernyak, Vladimir

doi:10.1063/1.4873351

Cited by 16 publications

(24 citation statements)

References 18 publications

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“…We compare three cases, with SOPB, with AOPB, and without any OPB adaption, and present results in the vicinity of the critical point. With plotted as a function of the α x for the three cases and compared to our previous work 44 45 46 , a much sharper decrease in from a finite value to zero is found after the adaption of SOPB. An α x increment of 0.0002 is taken around the critical point, which is numerically equivalent to being infinitesimal.…”

Section: Resultsmentioning

confidence: 68%

“…For the deep sub-Ohmic regime with s < 0.5, a transition from localized to delocalized phases has been discussed in our previous work 44 . Figure 2a shows and the ground-state energy E g for various values of α x with s = 0.25 and α z = 0.02.…”

Section: Resultsmentioning

confidence: 83%

“…Similar to that for the numerical renormalization group 51 method, the orthogonal polynomials theory can be employed to map the SBM to a one-dimensional chain with only nearest-neighbor coupling 52 , allowing one to straightforwardly adapt the DMRG method to study the SBM with only model-free approximations. Over the last few years, this approach has been extensively used for detailed studies of the phase transition of SBM 42 43 44 45 53 54 . Our recent work was devoted to the TBSBM to investigate the phase transition in a comprehensive manner 44 45 46 55 .…”

Section: Methodsmentioning

confidence: 99%

“…Over the last few years, this approach has been extensively used for detailed studies of the phase transition of SBM 42 43 44 45 53 54 . Our recent work was devoted to the TBSBM to investigate the phase transition in a comprehensive manner 44 45 46 55 . We have also examined the dynamics of SBM with the time-dependent DMRG (t-DMRG) algorithm, compared it with two other established methods, and demonstrated that a unitary transformation for the state yields reliable, accurate results 55 56 .…”

Section: Methodsmentioning

confidence: 99%

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Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells

Yao

Zhou

Prior

et al. 2015

Sci Rep

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It has long been a puzzle on what drives charge separation in artificial polymeric solar cells as a consensus has yet to emerge among rivaling theories based upon electronic localization and delocalization pictures. Here we propose an alternative using the two-bath spin-boson model with simultaneous diagonal and off-diagonal coupling: the critical phase, which is born out of the competition of the two coupling types, and is neither localized nor delocalized. The decoherence-free feature of the critical phase also helps explain sustained coherence of the charge-transfer state. Exploiting Hamiltonian symmetries in an enhanced algorithm of density-matrix renormalization group, we map out boundaries of the critical phase to a precision previously unattainable, and determine the bath spectral densities inducive to the existence of the charge-transfer state.

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Section: Resultsmentioning

confidence: 68%

Section: Resultsmentioning

confidence: 83%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells

Yao

Zhou

Prior

et al. 2015

Sci Rep

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“…It obviously does not matter to fix 0  to be 0.1 as the energy unit and to merely adjust α in the computations. The orthogonal polynomials adapted time-dependent density matrix renormalization group algorithm [24][25][26][27][28][29][30] is employed to calculate the dynamics of Hamiltonian (1). Initially the population of the electron is set to localize on the center of the lattice and the phonons are at the ground state.…”

Section: Model and Methodologymentioning

confidence: 99%

Polaronic quantum diffusion in dynamic localization regime

Yao

2017

New J. Phys.

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We investigate the quantum dynamics in a disordered electronic lattice with Fibonacci sequence of site energy and off-diagonal electron-phonon coupling within a sub-Ohmic bath by the timedependent density matrix renormalization group algorithm. It is found that, the slope of the inverse participation ratio versus the coupling strength undergoes a sudden change indicating a transition from the static to the dynamic localization. In the dynamic localization regime, the generated polarons coherently diffuse via hopping-like processes evidenced by the saturated entanglement entropy, providing a novel scenario for the transportation mechanism in strongly disordered systems. The mean-square displacement is revealed to be insensitive to the coupling strength, implying the quantum diffusion behavior survives the energy disorder that prevails in real organic materials.

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The hierarchy of Davydov's Ansätze and its applications

Zhao

Sun

Chen

et al. 2021

WIREs Comput Mol Sci

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This review provides a bird's eye view over the development of the hierarchy of Davydov's Ansätze and its applications in a variety of problems in computational physical chemistry. Davydov's original solitons appeared in the 1970s as a candidate for vibrational energy carriers in proteins, thanks to their association with the Fröhlich Hamiltonian and the Holstein molecular crystal model.Momentum-space projection of those solitary waves emerged to be great approximations to the ground-state wave functions of the extended Holstein Hamiltonian, lending unambiguous evidence to the absence of formal quantum phase transitions in those systems. The multiple Davydov Ansätze are introduced, with increasing multiplicity, as incremental improvements of their corresponding single-Ansatz parents. The time-dependent variational formalism of Davydov's Ansätze is discussed in great detail, and the relative deviation of the Ansätze is constructed to quantify how faithfully they follow the Schrödinger equation, a quantity that is shown to vanish in the limit of large multiplicities. Three approaches to finite-temperature variational dynamics of Davydov's Ansätze are demonstrated, namely, the Monte Carlo importance sampling, the method of thermo-field dynamics, and the method of displaced number states. Applications of Davydov's Ansätze are given to variants of the spin-boson model, the Landau-Zener transition, the Holstein Hamiltonian, energy transfer in light-harvesting, and singlet fission in organic photovoltaics.As an example, simulation of multidimensional spectroscopic signals via Davydov's Ansätze is fully implemented for the finite-temperature fission process in crystalline rubrene.

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Communication: Spin-boson model with diagonal and off-diagonal coupling to two independent baths: Ground-state phase transition in the deep sub-Ohmic regime

Abstract: Exact mapping between system-reservoir quantum models and semi-infinite discrete chains using orthogonal polynomials

Cited by 16 publications

References 18 publications

Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells

Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells

Polaronic quantum diffusion in dynamic localization regime

The hierarchy of Davydov's Ansätze and its applications

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