Related papers: An Efficient Time-splitting Method for the Ehrenfe…
We describe the quantum mechanical spreading of a Gaussian wave packet by means of the semiclassical WKB approximation of Berry and Balazs. We find that the time scale $\tau$ on which this approximation breaks down in a chaotic system is…
We derive the fundamental equations of an optimal control theory for systems containing both quantum electrons and classical ions. The system is modeled with Ehrenfest dynamics, a non-adiabatic variant of molecular dynamics. The general…
Starting from a many-body classical system governed by a trace-form entropy we derive, in the stochastic quantization picture, a family of non linear and non-Hermitian Schroedinger equations describing, in the mean filed approximation, a…
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…
We deal with a continuous-time Ehrenfest model defined over an extended star graph, defined as a lattice formed by the integers of $d$ semiaxis joined at the origin. The dynamics on each ray are regulated by linear transition rates, whereas…
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…
The time-dependent variational principle using generalized Gaussian trial functions yields a finite dimensional approximation to the full quantum dynamics and is used in many disciplines. It is shown how these 'semi-quantum' dynamics may be…
We show that in the few-excitation regime the classical and quantum time-evolution of the inhomogeneous Dicke model for N two-level systems coupled to a single boson mode agree for N>>1. In the presence of a single excitation only, the…
The mean-field dynamics of a Bose gas is shown to break down at time $\tau_h = (c_1/\gamma) \ln N$ where $\gamma$ is the Lyapunov exponent of the mean-field theory, $N$ is the number of bosons, and $c_1$ is a system-dependent constant. The…
The optical response of an electronic two-level system (TLS) coupled to an incident continuous wave (cw) electromagnetic (EM) field is simulated explicitly in one dimension by the following five approaches: (i) the coupled Maxwell-Bloch…
We study a number of filtering schemes for the reduction of the statistical error in non-adiabatic calculations by means of the quantum-classical Liouville equation. In particular, we focus on a scheme based on setting a threshold value on…
We propose a novel time-splitting scheme for a class of semilinear stochastic evolution equations driven by cylindrical fractional noise. The nonlinearity is decomposed as the sum of a one-sided, non-globally, Lipschitz continuous function,…
One key challenge in the study of nonadiabatic dynamics in open quantum systems is to balance computational efficiency and accuracy. Although Ehrenfest dynamics (ED) is computationally efficient and well-suited for large complex systems, ED…
A long-standing challenge in mixed quantum-classical trajectory simulations is the treatment of entanglement between the classical and quantal degrees of freedom. We present a novel approach which describes the emergence of entangled states…
This paper investigates quenching solutions of an one-dimensional, two-sided Riemann-Liouville fractional order convection-diffusion problem. Fractional order spatial derivatives are discretized using weighted averaging approximations in…
Breakdown of quantum-classical correspondence is studied on an experimentally realizable example of one-dimensional periodically driven system. Two relevant time scales are identified in this system: the short Ehrenfest time t_h and the…
We review properties of open chaotic mesoscopic systems with a finite Ehrenfest time tau_E. The Ehrenfest time separates a short-time regime of the quantum dynamics, where wave packets closely follow the deterministic classical motion, from…
We investigate detailed balance for a quantum system interacting with thermal radiation within mixed quantum-classical theory. For a two-level system coupled to classical radiation fields, three semiclassical methods are benchmarked: (1)…
We consider a nonlinear area preserving Anosov map M on the torus phase space, which is the simplest example of a fully chaotic dynamics. We are interested in the quantum dynamics for long time, generated by the unitary quantum propagator…
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…