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The Journal of Chemical Physics

Quantum relaxation in high density fermion and boson tunneling dynamics: Implications for low temperature anomalous surface diffusion

Qing Zhang, K. Birgitta Whaley

Published Jul 15, 1991• 5 citations
Publisher

Abstract

Quantum relaxation behavior for many-particle tunneling systems of interacting identical particles is studied for both fermions and bosons within the infinite U Hubbard model, using a numerically exact checkerboard time propagation. Dependence of relaxation times upon vacancy concentration is obtained, and conclusions for nuclear statistical effects in hydrogen surface diffusion presented.

DOI
10.1063/1.461123

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•Jan 1, 2012•0 citations
Quantum relaxation behavior for many-particle tunneling systems of interacting identical particles is studied for both fermions and bosons within the infinite U Hubbard model, using a numerically exact checkerboard time propagation. Dependence of relaxation times upon vacancy concentration is obtained, and conclusions for nuclear statistical effects in hydrogen surface diffusion presented.
The time dependent many-body dynamics of strongly interacting particles on a two-dimensional lattice are studied with the recently developed checkerboard propagator. Application is made to the two-dimensional infinite U Hubbard model at high concentrations, for both fermion and boson systems. The concentration, initial state, and boundary condition dependence of vacancy correlation functions are analyzed, and related to the local densities of states. Quasidissipative behavior of the correlation functions is seen beyond a short initial time scale during which single-particlelike motion is seen.
Motivated by recent experiments, we study the relaxation dynamics and thermalization in the one-dimensional Bose-Hubbard model induced by a global interaction quench. Specifically, we start from an initial state that has exactly one boson per site and is the ground state of a system with infinitely strong repulsive interactions at unit filling. Using exact diagonalization and the density-matrix renormalization-group method, we compute the time dependence of such observables as the multiple occupancy and the momentum distribution function. Typically, the relaxation to stationary values occurs over just a few tunneling times. The stationary values are identical to the so-called diagonal ensemble on the system sizes accessible to our numerical methods and we further observe that the microcanonical ensemble describes the time averages of many observables reasonably well for small and intermediate interaction strength. The expectation values of observables in the canonical ensemble agree quantitatively with the time averages obtained from the quench at small interaction strengths, and qualitatively provide a good description even in parameter regimes where the microcanonical ensemble is not applicable due to finite-size effects. We discuss our numerical results in the framework of the eigenstate thermalization hypothesis. Moreover, we also observe that the diagonal and the canonical ensembles are practically identical for our initial conditions already on the level of their respective energy distributions for small interaction strengths. Finally, we discuss implications of our results for the interpretation of a recent sudden expansion experiment [Phys. Rev. Lett. 110, 205301 (2013)], in which the same interaction quench was realized.
We have developed a semi-analytical framework formulated in the canonical fermion representation to investigate strongly correlated electron systems. We consider the U=∞\infty∞ Hubbard model and used the equation of motion method to calculate the fermion self-energy which has two parts: single and two-boson exchange processes. The emergent bosons here are self-generated local charge and spin-density fluctuations which become strongly time-dependent due to extreme correlations. The computed boson spectral density is a diffusive damped mode with a long tail. The electron self-energy at d=∞d=\inftyd=∞ is computed self-consistently. The corresponding fermionic spectral density displays a pronounced coherence peak at ω=0ω=0ω=0, while its frequency derivative develops a two-peak structure at finite ωωω. The resistivity shows a linear temperature dependence over a broad range, crossing over to coherent Fermi-liquid behavior at extremely low temperatures.
We study the onset of particle statistics effects as the temperature is lowered in strongly correlated two-dimensional Hubbard models. We utilize numerical linked-cluster expansions and focus on the properties of interacting lattice fermions and two-component hard-core bosons. In the weak-coupling regime, where the ground state of the bosonic system is a superfluid, the thermodynamic properties of the two systems at half filling exhibit very large differences even at high temperatures. In the strong-coupling regime, where the low-temperature behavior is governed by a Mott insulator for either particle statistics, the agreement between the thermodynamic properties of both systems extends to regions where the antiferromagnetic (iso)spin correlations are exponentially large. We analyze how particle statistics affects adiabatic cooling in those systems.
We study the real-time and real-space dynamics of charge in the one-dimensional Hubbard model in the limit of high temperatures. To this end, we prepare pure initial states with sharply peaked density profiles and calculate the time evolution of these nonequilibrium states, by using numerical forward-propagation approaches to chains as long as 20 sites. For a class of typical states, we find excellent agreement with linear-response theory and unveil the existence of remarkably clean charge diffusion in the regime of strong particle-particle interactions. We additionally demonstrate that, in the half-filling sector, this diffusive behavior does not depend on certain details of our initial conditions, i.e., it occurs for five different realizations with random and nonrandom internal degrees of freedom, single and double occupation of the central site, and displacement of spin-up and spin-down particles.
In this thesis, the tunneling dynamics of a few boson system in a double-well is investigated from an ab-initio prospective using the numerically exact Multi-Configuration Time-Dependent Hartree method. We first study a system consisting of single species of bosons with a spatially modulated interaction. The main emphasis is on the role of inhomogeneity and its effect on the tunneling. The dynamics changes from Rabi oscillations in the non-interacting case to a highly suppressed tunneling for intermediate interaction strengths followed by a reappearance of tunneling near the fermionization limit. With extreme interaction inhomogeneity in the regime of strong correlations we observe tunneling between the higher bands. A richer behavior is found for systems with higher particle number. For systems with more than two bosons, the inhomogeneity of the interaction can be tuned to generate tunneling resonances. These observations are explained on the basis of the few-body spectrum and stationary eigenstates. A tilted double-well and its interplay with the interaction asymmetry is discussed next. We demonstrate that the effects of the interaction can be compensated by the tilt leading to tunneling resonances. We then explore tunneling dynamics of binary bosonic mixtures. The focus is on the role of the inter- and intra-species interactions and their interplay. The dynamics is studied for three initial configurations: complete and partial population imbalance and a phase separated state. Increasing the inter-species interaction leads to a strong increase of the tunneling time period analogous to the quantum self-trapping for condensates. The intra-species repulsion can suppress or enhance the tunneling period depending on the strength of the inter-species correlations as well as the initial configuration. Completely correlated tunneling between the two species and within the same species as well as mechanisms of species separation and counterflow are revealed. These effects are explained by studying the many-body energy spectra as well as the properties of the contributing stationary states.