Temperature Controlled Open Quantum System Dynamics using Time-dependent Variational Method

• URL: http://arxiv.org/abs/2103.02586v1
• Date: Wed, 3 Mar 2021 18:34:02 GMT
• Title: Temperature Controlled Open Quantum System Dynamics using Time-dependent Variational Method
• Authors: Mantas Jaku\v{c}ionis, Darius Abramavi\v{c}ius
• Abstract summary: The algorithm allows to control temperature variations of a harmonic finite size bath, when in contact with the quantum system. Numerical analysis of the exciton relaxation dynamics in a small molecular cluster reveals that thermalization provides significant calculation speed up.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Dirac-Frenkel variational method with Davydov D2 trial wavefunction is extended by introducing a thermalization algorithm and applied to simulate dynamics of a general open quantum system. The algorithm allows to control temperature variations of a harmonic finite size bath, when in contact with the quantum system. Thermalization of the bath vibrational modes is realised via stochastic scatterings, implemented as a discrete-time Bernoulli process with Poisson statistics. It controls bath temperature by steering vibrational modes' evolution towards their canonical thermal equilibrium. Numerical analysis of the exciton relaxation dynamics in a small molecular cluster reveals that thermalization additionally provides significant calculation speed up due to reduced number of vibrational modes needed to obtain the convergence.

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