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The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain…

Statistical Mechanics · Physics 2009-11-11 L. Muehlbacher , J. Ankerhold , A. Komnik

The theoretical description of materials' properties driven out of equilibrium has important consequences in various fields such as semiconductor spintronics, nonlinear optics, continuous and discrete quantum information science and…

Materials Science · Physics 2025-09-18 Jacopo Simoni , Gabriele Riva , Yuan Ping

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon…

Mesoscale and Nanoscale Physics · Physics 2015-05-21 Yu Zhang , ChiYung Yam , GuanHua Chen

We define correlational (von Neumann) entropy for an individual quantum state of a system whose time-independent hamiltonian contains random parameters and is treated as a member of a statistical ensemble. This entropy is representation…

chao-dyn · Physics 2013-01-16 Valentin V. Sokolov , B. Alex Brown , Vladimir Zelevinsky

We investigate the effect of electron-electron interactions on Aharonov-Bohm (AB) current oscillations in nanorings formed by a chain of metallic quantum dots. We demonstrate that electron-electron interactions cause electron dephasing…

Mesoscale and Nanoscale Physics · Physics 2010-02-16 Andrew G. Semenov , Andrei D. Zaikin

We investigate the effects of the initial correlation on the dynamics of open system in the exactly solvable pure dephasing model. We show that the role of the initial correlation come into play through a phase function and a weight factor,…

Quantum Physics · Physics 2015-06-11 Yang Gao

We show that it is possible to explain the quantum measurement process within the framework of quantum mechanics without any additional postulates. The key concept of the theory is decoherence, which appears as an inherent characteristic of…

General Physics · Physics 2019-11-01 Riuji Mochizuki

A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…

Strongly Correlated Electrons · Physics 2009-11-07 J. E. Hirsch

A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…

Materials Science · Physics 2019-12-17 Teepanis Chachiyo , Hathaithip Chachiyo

Understanding the rich dynamics of open quantum systems is of fundamental interest to quantum control and quantum information processing. By considering an open system of many identical two-level atoms interacting with a common bath, we…

Quantum Physics · Physics 2013-02-08 Adam Zaman Chaudhry , Jiangbin Gong

We study the decoherence of a renormalised quantum field theoretical system. We consider our novel correlator approach to decoherence where entropy is generated by neglecting observationally inaccessible correlators. Using…

High Energy Physics - Theory · Physics 2011-04-22 Jurjen F. Koksma , Tomislav Prokopec , Michael G. Schmidt

Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…

Chemical Physics · Physics 2020-07-14 Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis

We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…

Quantum Physics · Physics 2012-02-24 Laura K. McKemmish , Ross H. McKenzie , Noel S. Hush , Jeffrey R. Reimers

Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…

Strongly Correlated Electrons · Physics 2025-05-14 Jennifer Coulter , Andrew J. Millis

The electronic structure and thermodynamical properties of uranium trihydrides ($\alpha$-UH$_{3}$ and $\beta$-UH$_{3}$) have been studied using first-principles density functional theory. We find that inclusion of strong electronic…

Strongly Correlated Electrons · Physics 2011-01-10 Yu-Juan Zhang , Bao-Tian Wang , Yong Lu , Ping Zhang

We investigate the entanglement between electronic and vibrational degrees of freedom produced by a vibronic coupling in a molecular system described in the Born-Oppenheimer approximation. Entanglement in a pure state of the Hilbert space…

Quantum Physics · Physics 2014-03-05 Mihaela Vatasescu

The role of electronic correlations in Condensed Matter is at the heart of various important systems, like magnetic materials, superconductors, topological materials, optical lattices, etc. Electronic correlations are those which change the…

Strongly Correlated Electrons · Physics 2019-12-10 J. M. Pizarro

In the framework of the Lindblad theory for open quantum systems, we determine the degree of quantum decoherence of a harmonic oscillator interacting with a thermal bath. It is found that the system manifests a quantum decoherence which is…

Quantum Physics · Physics 2009-11-13 A. Isar

We develop a formalism to accurately account for the renormalization of electronic structure due to quantum and thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamental energy gap obtained from…

Materials Science · Physics 2021-02-03 Vitaly Gorelov , David M. Ceperley , Markus Holzmann , Carlo Pierleoni

We study the dynamics of correlations in a paradigmatic setup to observe $\mathcal{PT}$-symmetric physics: a pair of coupled oscillators, one subject to a gain one to a loss. Starting from a coherent state, quantum correlations (QCs) are…