ﻻ يوجد ملخص باللغة العربية
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 entirely in terms of independent and deterministic Ehrenfest-like classical trajectories. For a two-level quantum system in a classical environment, this is derived by mapping the quantum system onto a path-integral representation of a spin-1/2. We demonstrate that the method correctly accounts for coherence and decoherence and thus reproduces the splitting of a wavepacket in a nonadiabatic scattering problem. This discovery opens up a new class of simulations as an alternative to stochastic surface-hopping, coupled-trajectory or semiclassical approaches.
Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally-measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first principles. Sinc
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum dynamics
The dynamics of many open quantum systems are described by stochastic master equations. In the discrete-time case, we recall the structure of the derived quantum filter governing the evolution of the density operator conditioned to the measurement ou
We show that Anderson localization in quasi-one dimensional conductors with ballistic electron dynamics, such as an array of ballistic chaotic cavities connected via ballistic contacts, can be understood in terms of classical electron trajectories on
We analyze the attosecond electron dynamics in hydrogen molecular ion driven by an external intense laser field using ab-initio numerical simulations of the corresponding time-dependent Schr{{o}}dinger equation and Bohmian trajectories. To this end,