scholarly journals Hierarchical Schrödinger equations of motion for open quantum dynamics

2018 ◽  
Vol 98 (1) ◽  
Author(s):  
Kiyoto Nakamura ◽  
Yoshitaka Tanimura
2021 ◽  
Author(s):  
Yuki Iwamoto ◽  
Yoshitaka Tanimura

Abstract Discretizing distribution function in a phase space for an efficient quantum dynamics simulation is non-trivial challenge, in particular for a case that a system is further coupled to environmental degrees of freedom. Such open quantum dynamics is described by a reduced equation of motion (REOM) most notably by a quantum Fokker-Planck equation (QFPE) for a Wigner distribution function (WDF). To develop a discretization scheme that is stable for numerical simulations from the REOM approach, we find that a two-dimensional (2D) periodically invariant system-bath (PISB) model with two heat baths is an ideal platform not only for a periodical system but also for a system confined by a potential. We then derive the numerically ''exact'' hierarchical equations of motion (HEOM) for a discrete WDF in terms of periodically invariant operators in both coordinate and momentum spaces. The obtained equations can treat non-Markovian heat-bath in a non-perturbative manner at finite temperatures regardless of the mesh size. The stability of the present scheme is demonstrated in a high-temperature Markovian case by numerically integrating the discrete QFPE with by a coarse mesh for a 2D free rotor and harmonic potential systems for an initial condition that involves singularity.


2004 ◽  
Vol 18 (11) ◽  
pp. 479-483
Author(s):  
GUO-FENG ZHANG ◽  
YIN WEN ◽  
YING-FANG GAO ◽  
JIU-QING LIANG ◽  
QI-WEI YAN

Quantum dynamics time evolution of a molecular magnet Fe 8 interacting with an electron nuclear spin is studied by solving the time-dependent Schrödinger equations. It is found that the variation of Fe 8 magnetization and the nuclear spin crucially depends on the interaction strength. The time evolution of the entanglement between the injecting electron and Fe 8 is evaluated. It is observed that the entanglement oscillates in time and is tightly related to the spin variation of the injecting electron. From these characteristics, the technique for the reversing and read-out of Fe 8 spin states is suggested.


Entropy ◽  
2019 ◽  
Vol 21 (12) ◽  
pp. 1148 ◽  
Author(s):  
Devashish Pandey ◽  
Enrique Colomés ◽  
Guillermo Albareda ◽  
Xavier Oriols

A prominent tool to study the dynamics of open quantum systems is the reduced density matrix. Yet, approaching open quantum systems by means of state vectors has well known computational advantages. In this respect, the physical meaning of the so-called conditional states in Markovian and non-Markovian scenarios has been a topic of recent debate in the construction of stochastic Schrödinger equations. We shed light on this discussion by acknowledging the Bohmian conditional wavefunction (linked to the corresponding Bohmian trajectory) as the proper mathematical object to represent, in terms of state vectors, an arbitrary subset of degrees of freedom. As an example of the practical utility of these states, we present a time-dependent quantum Monte Carlo algorithm to describe electron transport in open quantum systems under general (Markovian or non-Markovian) conditions. By making the most of trajectory-based and wavefunction methods, the resulting simulation technique extends to the quantum regime, the computational capabilities that the Monte Carlo solution of the Boltzmann transport equation offers for semi-classical electron devices.


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