# 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 } }

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

### Fast, Accurate Simulation of Polaron Dynamics and Multidimensional Spectroscopy by Multiple Davydov Trial States.

- PhysicsThe 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.

### Multimode quantum dynamics with multiple Davydov D2 trial states: Application to a 24-dimensional conical intersection model.

- PhysicsThe 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…

### Dynamics of Coupled Electron-Boson Systems with the Multiple Davydov D1 Ansatz and the Generalized Coherent State.

- PhysicsThe 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.

### The Davydov D1.5 Ansatz for the quantum Rabi model

- Mathematics, PhysicsPhysica 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…

### Finite-temperature time-dependent variation with multiple Davydov states.

- PhysicsThe 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.

### Schrödinger-Cat States in Landau-Zener-Stückelberg-Majorana Interferometry: A Multiple Davydov Ansatz Approach.

- PhysicsThe 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.

### Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximation.

- PhysicsPhysical 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.

### Dynamics of dissipative Landau-Zener transitions

- 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…

### Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach.

- PhysicsThe 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.

### Dynamics of a one-dimensional Holstein polaron: The multiconfigurational Ehrenfest method.

- PhysicsThe 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

### Delocalized Davydov D1 Ansatz for the Holstein polaron.

- PhysicsThe 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…

### Dynamics of a Holstein polaron with off-diagonal coupling.

- PhysicsThe 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…

### Dynamics of a one-dimensional Holstein polaron with the Davydov ansätze

- 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…

### Dynamics of the sub-Ohmic spin-boson model: a time-dependent variational study.

- PhysicsThe 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…

### Density-matrix renormalization-group study of the polaron problem in the Holstein model

- 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.…

### Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system

- 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…

### Quantum Monte Carlo simulation of the Davydov model.

- PhysicsPhysical 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…

### Polaron dynamics in two-dimensional photon-echo spectroscopy of molecular rings.

- PhysicsThe 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.

### DYNAMICAL PROPERTIES OF SMALL POLARONS

- 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…

### VARIATIONAL ENERGY BAND THEORY FOR POLARONS : MAPPING POLARON STRUCTURE WITH THE GLOBAL-LOCAL METHOD

- 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…