Résultats de recherche pour « Eigenstate Thermalization Hypothesis »

We review a theory that predicts the onset of thermalization in a quantum mechanical coupled non-linear oscillator system, which models the vibrational degrees of freedom of a molecule. A system of N non-linear oscillators perturbed by cubic anharmonic interactions exhibits a many-body localization (MBL) transition in the vibrational state space (VSS) of the molecule. This transition can occur at rather high energy in a sizable molecule because the density of states coupled by cubic anharmonic terms scales as ~ N3, in marked contrast to the total density of states, which scales as exp(aN), where a is a constant. The emergence of a MBL transition in the VSS is seen by analysis of a random matrix ensemble that captures the locality of coupling in the VSS, referred to as local random matrix theory (LRMT). Upon introducing higher order anharmonicity, the location of the MBL transition of even a sizable molecule, such as an organic molecule with tens of atoms, still lies at an energy that may exceed the energy to surmount a barrier to reaction, such as a barrier to conformational change. Illustrative calculations are provided, and some recent work on the influence of thermalization on thermal conduction in molecular junctions is also discussed.

Abstract Eigenstate Thermalization Hypothesis (ETH) is the crossover point between quantum mechanics and thermal mechanics. It is used to discuss the propagation of quantum systems to equilibrium states. This hypothesis is also a tool for looking for robust systems resistant to noise and exhibiting unique behaviors. Recently, some groups have reported the experimental detection of ETH. However, the ETH on quantum algorithms has not been studied well. ETH may also be a tool for searching for new and accurate quantum algorithms. Therefore, I surveyed the effect of ETH on the time propagation of states and energies on Quantum Alternative Optimization Ansatz of Traveling Salesman Problem and Graph Coloring Problem. As a result, I revealed that Hamiltonian’s initial states and graph shape are crucial for ETH. The more time the time average of energies takes to drop ETH, the more accurate the calculation becomes.

We review a theory that predicts the onset of thermalization in a quantum mechanical coupled non-linear oscillator system, which models the vibrational degrees of freedom of a molecule. A system of N non-linear oscillators perturbed by cubic anharmonic interactions exhibits a many-body localization (MBL) transition in the vibrational state space (VSS) of the molecule. This transition can occur at rather high energy in a sizable molecule because the density of states coupled by cubic anharmonic terms scales as N3, in marked contrast to the total density of states, which scales as exp(aN), where a is a constant. The emergence of a MBL transition in the VSS is seen by analysis of a random matrix ensemble that captures the locality of coupling in the VSS, referred to as local random matrix theory (LRMT). Upon introducing higher order anharmonicity, the location of the MBL transition of even a sizable molecule, such as an organic molecule with tens of atoms, still lies at an energy that may exceed the energy to surmount a barrier to reaction, such as a barrier to conformational change. Illustrative calculations are provided, and some recent work on the influence of thermalization on thermal conduction in molecular junctions is also discussed.

Understanding how out-of-equilibrium states thermalize under quantum unitary dynamics is an important problem in many-body physics. In this work, we propose a statistical Ansatz for the matrix elements of non-equilibrium initial states in the energy eigenbasis, in order to describe such evolution. The approach is inspired by the Eigenstate Thermalisation Hypothesis (ETH) but the proposed Ansatz exhibits different scaling. Importantly, we point out the exponentially small cross-correlations between the observable and the initial state matrix elements that determine relaxation dynamics toward equilibrium. We numerically verify scaling and cross-correlation, point out the emergent universality of the high-frequency behavior, and outline possible generalizations.