# Polaron dynamics with a multitude of Davydov D2 trial states.

@article{Zhou2015PolaronDW,
title={Polaron dynamics with a multitude of Davydov D2 trial states.},
author={Nengji Zhou and Zhongkai Huang and Jiangfeng Zhu and Vladimir Y. Chernyak and Yang Zhao},
journal={The Journal of chemical physics},
year={2015},
volume={143 1},
pages={
014113
}
}
• Published 7 July 2015
• Physics, Mathematics
• The Journal of chemical physics
We propose an extension to the Davydov D2 Ansatz in the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the Dirac-Frenkel time-dependent variational principle. The new trial state by the name of the "multi-D2 Ansatz" is a linear combination of Davydov D2 trial states, and its validity is carefully examined by quantifying how faithfully it follows the Schrödinger equation. Considerable improvements in accuracy have been…
54 Citations
• Physics
The journal of physical chemistry. A
• 2016
For the first time, 2D spectra have been calculated for systems with off-diagonal exciton-phonon coupling by employing themultiple D2 ansatz to compute the nonlinear response function, testifying to the great potential of the multiple D1 (D2) ansatz for fast, accurate implementation of multidimensional spectroscopy.
• Physics
The Journal of chemical physics
• 2019
The ultrafast nonadiabatic dynamics of a two-electronic-state four-vibrational-mode conical intersection coupled to a finite bath with up to 20 harmonic oscillators has been investigated by employing
• Physics
The journal of physical chemistry. A
• 2017
Two Ansätze are applied to study population dynamics in the spin-boson model and the Holstein molecular crystal model, and a detailed comparison with numerically exact results obtained by the (multilayer) multiconfiguration time-dependent Hartree method and the hierarchy equations of motion approach is drawn.
• Mathematics, Physics
Physica Scripta
• 2018
We propose a new version of the Davydov Ansatz for the approximate solution of the time-dependent Schrödinger equation (TDSE) and apply it to a spin 1/2 system coupled to a single bosonic mode. In
• Physics
The Journal of chemical physics
• 2017
At a moderate computational cost, the Dirac-Frenkel time-dependent variational approach with the multiple Davydov Ansatz is shown to provide accurate spin-boson dynamics over a wide range of temperatures and bath spectral densities.
• Physics
The journal of physical chemistry. B
• 2021
This work investigates Landau-Zener (LZ) transitions in a qubit coupled to a photon mode with various initial photon states at zero temperature using the time-dependent variational principle combined with the multiple Davydov D2 Ansatz.
• Physics
Physical chemistry chemical physics : PCCP
• 2017
The variational method with importance sampling is employed to investigate temperature effects on exciton transport using the multi-D2Ansatz, and it is demonstrated that the variational approach is valid in both low and high temperature regimes.
• Physics
• 2018
A non-perturbative treatment, the Dirac-Frenkel time-dependent variation is employed to examine dynamics of the Landau-Zener model with both diagonal and off-diagonal qubit-bath coupling using the
• Physics
The Journal of chemical physics
• 2017
Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, the theory provides a unified treatment of coherent and incoherent transport in molecular crystals and is applicable to any temperature.
• Physics
The Journal of chemical physics
• 2019
The extended MCE approach to investigate the dynamics of a one-dimensional Holstein molecular crystal model yields results in perfect agreement with benchmark calculations by the hierarchy equations of motion method, providing an effective tool for accurate and efficient simulations of polaron dynamics.

## References

SHOWING 1-10 OF 65 REFERENCES

• Physics
The Journal of chemical physics
• 2013
An efficient, yet very accurate trial wave function, constructed from projecting the well-known Davydov D1 Ansatz onto momentum eigenstates, is employed to study the ground state properties of the
• Physics
The Journal of chemical physics
• 2012
Dynamics of a one-dimensional Holstein polaron with off-diagonal exciton-phonon coupling is studied by employing the Dirac-Frenkel time-dependent variational principle. The trial state used is the
• Physics
• 2010
Following the Dirac-Frenkel time-dependent variational principle, dynamics of a one-dimensional Holstein polaron is probed by employing the Davydov ${\text{D}}_{2}$ ansatz with two sets of
• Physics
The Journal of chemical physics
• 2013
The Dirac-Frenkel time-dependent variation is employed to probe the dynamics of the zero temperature sub-Ohmic spin-boson model with strong friction utilizing the Davydov D1 ansatz. It is shown that
• Physics
• 1998
with 2 states. The pseudosites can be viewed as the binary digits of a boson level. We apply the pseudosite DMRG method to the polaron problem in the one- and two-dimensional Holstein models.
• Physics
• 2014
We develop a systematic variational coherent-state expansion for themany-body ground state of the spin-boson model, in which a quantum two-level system is coupled to a continuum of harmonic
• Physics
Physical review letters
• 1989
Through an application of the quantum Monte Carlo technique, we investigate the thermal equilibrium properties of the one-dimensional model proposed by Davydov for the description of energy transport
• Physics
The Journal of chemical physics
• 2013
A new approach to the computation of third-order spectroscopic signals of molecular rings, by incorporating the Davydov soliton theory into the nonlinear response function formalism, allowing for a full description of arbitrary exciton-phonon coupling strengths.
• Physics
• 1997
On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyse the spectral properties of polaronic systems in view of discerning localized from itinerant polarons
• Physics
• 1997
In this article we revisit from a contemporary perspective a classic problem of polaron theory in one space dimension following the variational approach originally taken by Toyozawa. Polaron