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Molecules and the Eigenstate Thermalization Hypothesis.

David M Leitner1

  • 1Department of Chemistry, University of Nevada, Reno, NV 89557, USA.

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Summary
This summary is machine-generated.

A theory predicts many-body localization (MBL) transitions in molecular vibrations. This quantum phenomenon occurs in coupled non-linear oscillators, potentially influencing molecular reactions and thermal properties.

Keywords:
local random matrix theorymany-body localizationvibrational state space

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Area of Science:

  • Quantum mechanics
  • Molecular dynamics
  • Statistical physics

Background:

  • Molecular vibrations are modeled as coupled non-linear oscillators.
  • Anharmonic interactions perturb these oscillators, influencing energy flow and thermalization.
  • Many-body localization (MBL) is a quantum phenomenon preventing thermalization.

Purpose of the Study:

  • Review a theory predicting MBL onset in molecular vibrational systems.
  • Investigate the role of anharmonicity in MBL transitions.
  • Discuss implications for molecular reactions and thermal conduction.

Main Methods:

  • Analysis of a quantum mechanical coupled non-linear oscillator system.
  • Application of local random matrix theory (LRMT) to vibrational state space.
  • Illustrative calculations for sizable molecules.

Main Results:

  • A many-body localization (MBL) transition occurs in the vibrational state space.
  • The density of states coupled by cubic anharmonicity scales as N^3, facilitating MBL.
  • MBL transitions can occur at energies relevant to chemical reactions.

Conclusions:

  • The reviewed theory provides a framework for understanding thermalization onset in molecular systems.
  • MBL transitions in vibrational state space are influenced by anharmonicity.
  • These findings have implications for molecular reaction dynamics and thermal transport in molecular junctions.