skip to main content
Language:
Search Limited to: Search Limited to: Resource type Show Results with: Show Results with: Search type Index

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

The Journal of chemical physics, 2020-07, Vol.153 (2), p.020901 [Peer Reviewed Journal]

Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0011599 ;PMID: 32668942 ;CODEN: JCPSA6

Full text available

Citations Cited by
  • Title:
    Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)
  • Author: Tanimura, Yoshitaka
  • Subjects: Approximation ; Atomic beam spectroscopy ; Charge materials ; Charge transfer ; Computer simulation ; Coupling (molecular) ; Dynamic tests ; Equations of motion ; Exact solutions ; Excitons ; Harmonic oscillators ; Mathematical models ; Models, Chemical ; Motion ; Nanotechnology devices ; NMR ; Nuclear magnetic resonance ; Quantum entanglement ; Quantum mechanics ; Quantum phenomena ; Quantum Theory ; Resonant tunneling ; Spectrum analysis
  • Is Part Of: The Journal of chemical physics, 2020-07, Vol.153 (2), p.020901
  • Description: 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 particular, to account for various linear and nonlinear spectra in molecular and solid state materials, to evaluate charge and exciton transfer rates in biological systems, to simulate resonant tunneling and quantum ratchet processes in nanodevices, and to explore quantum entanglement states in quantum information theories. This article presents an overview of the HEOM theory, focusing on its theoretical background and applications, to help further the development of the study of open quantum dynamics.
  • Publisher: United States: American Institute of Physics
  • Language: English
  • Identifier: ISSN: 0021-9606
    EISSN: 1089-7690
    DOI: 10.1063/5.0011599
    PMID: 32668942
    CODEN: JCPSA6
  • Source: MEDLINE
    Alma/SFX Local Collection

Searching Remote Databases, Please Wait