Numerically "exact" approach to open quantum dynamics: The hierarchical equations of motion (HEOM)

The Journal of Chemical Physics
Yoshitaka Tanimura

Abstract

An open quantum system refers to a system that is further coupled to a bath system consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is typically modeled by an infinite number of harmonic oscillators. This system-bath model can describe the time-irreversible dynamics through which the system evolves toward a thermal equilibrium state at finite temperature. In nuclear magnetic resonance and atomic spectroscopy, dynamics can be studied easily by using simple quantum master equations under the assumption that the system-bath interaction is weak (perturbative approximation) and the bath fluctuations are very fast (Markovian approximation). However, such approximations cannot be applied in chemical physics and biochemical physics problems, where environmental materials are complex and strongly coupled with environments. The hierarchical equations of motion (HEOM) can describe the numerically "exact" dynamics of a reduced system under nonperturbative and non-Markovian system-bath interactions, which has been verified on the basis of exact analytical solutions (non-Markovian tests) with any desired numerical accuracy. The HEOM theory has been used to treat systems of practical interest, in part...Continue Reading

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Citations

Dec 10, 2020·The Journal of Chemical Physics·Hong GongYiJing Yan
Jan 1, 2021·The Journal of Chemical Physics·Veljko Janković, Tomáš Mančal
Nov 22, 2020·The Journal of Chemical Physics·Kewei SunYang Zhao
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Dec 16, 2020·The Journal of Chemical Physics·Michael Zwolak
Nov 15, 2020·The Journal of Chemical Physics·Tomislav Begušić, Jiří Vaníček
Nov 22, 2020·The Journal of Chemical Physics·Joachim Seibt, Oliver Kühn
Mar 6, 2021·The Journal of Physical Chemistry Letters·Luis E Herrera Rodríguez, Alexei A Kananenka
Mar 24, 2021·The Journal of Physical Chemistry. a·Duvalier Madrid-Úsuga, John H Reina
May 1, 2021·The Journal of Physical Chemistry. B·Maxim F GelinLipeng Chen
Apr 21, 2021·Physical Chemistry Chemical Physics : PCCP·Fabrizio SantoroRoberto Improta
May 14, 2021·The Journal of Physical Chemistry. B·Raffaele Borrelli, Sergey Dolgov
May 18, 2021·Journal of Chemical Theory and Computation·Seiji Ueno, Yoshitaka Tanimura
Jun 8, 2021·The Journal of Physical Chemistry Letters·Atreya Majumdar, Thomas L C Jansen
Jul 10, 2021·The Journal of Chemical Physics·Dominikus BrianXiang Sun
Jul 10, 2021·The Journal of Chemical Physics·Yaling KeMichael Thoss
Jul 24, 2021·The Journal of Chemical Physics·Gabriel BreuilMichèle Desouter-Lecomte
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Aug 7, 2021·The Journal of Physical Chemistry. a·Joachim Seibt, Oliver Kühn
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