相关论文: Ehrenfest statistical dynamics in chemistry: study…
Quantum path interferences or resonances in multilevel dissipative quantum systems play an important and intriguing role in the transport processes of nanoscale systems. Many previous minimalistic models used to describe the quantum path…
The problem investigated in this paper is einselection, i. e. the selection of mutually exclusive quantum states with definite probabilities through decoherence. Its study is based on a theory of decoherence resulting from the projection…
Identifying and controlling decoherence in single electron sources (SES) is important for their applications in quantum information processing. The recent experiments with ultrashort electron pulses [J. D. Fletcher et al., Nat. Commun. 10,…
We propose Ehrenfest Dynamics with Spontaneous Localization (SLED), a decoherence-corrected extension of Ehrenfest dynamics based on the Gisin-Percival quantum-state diffusion (QSD) equation. In SLED, the electronic wavefunction evolves…
High-harmonic generation (HHG) is a nonlinear process in which a material sample is irradiated by intense laser pulses, causing the emission of high harmonics of the incident light. HHG has historically been explained by theories employing…
Ehrenfest urns with interaction that are connected in a ring is considered as a paradigm model for non-equilibrium thermodynamics and is shown to exhibit two distinct non-equilibrium steady states (NESS) of uniform and non-uniform particle…
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally highly demanding time-dependent dynamics. We have implemented…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent…
We have derived equations for nonadiabatic Ehrenfest molecular dynamics which conserve the total energy in the case of time-dependent discretization for electrons. A discretization is time-dependent in all cases where it or part of it…
We discuss the various manifestations of quantum decoherence in the forms of dephasing, entanglement with the environment, and revelation of "which-path" information. As a specific example, we consider an electron interference experiment.…
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one and three dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three…
We consider an Ehrenfest approximation for a particle in a double-well potential in the presence of an external environment schematized as a finite resource heat bath. This allows us to explore how the limitations in the applicability of…
We study decoherence in a simple quantum mechanical model using two approaches. Firstly, we follow the conventional approach to decoherence where one is interested in solving the reduced density matrix from the perturbative master equation.…
A simplified Heisenberg spin model is studied in order to examine the idea of decoherence in closed quantum systems. For this purpose, we present a quantifiable definition to quantum coherence $\Xi$, and discuss in some detail a general…
An economic modeling approach for cavity quantum electrodynamics is provided by mean-field dynamics, wherein the optical field is described classically while a self-consistent interaction with quantum emitters is incorporated through the…
Decoherence in a quantum measurement is typically explained as an interaction with the environment that destroys coherence between the system's eigenstates, a phenomenon known as environment-induced superselection (einselection). In this…
The study of environmentally induced superselection and of the process of decoherence was originally motivated by the search for the emergence of classical behavior out of the quantum substrate, in the macroscopic limit. This limit, and…
We benchmark a set of quantum-chemistry methods, including multitrajectory Ehrenfest, fewest-switches surface-hopping, and multiconfigurational-Ehrenfest dynamics, against exact quantum-many-body techniques by studying real-time dynamics in…
Quantum decoherence plays a pivotal role in the dynamical description of the quantum-to-classical transition and is the main impediment to the realization of devices for quantum information processing. This paper gives an overview of the…