Related papers: A multi-band semiclassical model for surface hoppi…
The exact and semiclassical quantum mechanics of the elliptic billiard is investigated. The classical system is integrable and exhibits a separatrix, dividing the phasespace into regions of oscillatory and rotational motion. The classical…
Consider a multichannel closed ring with disorder. In the semiclassical treatment its conductance is given by the Drude formula. Quantum mechanics challenge this result both in the limit of strong disorder (eigenstates are not…
We present an approach to the numerical simulation of open quantum many-body systems based on the semiclassical framework of the discrete truncated Wigner approximation. We establish a quantum jump formalism to integrate the quantum master…
Surface hopping has seen great success in describing molecular phenomena where electronic excitations tend to be localized, but its application to materials with band-like electronic properties has remained limited. Here, we derive a…
Accurate simulation the many-electronic nonadiabatic dynamics process at metal surfaces remains as a significant task. In this work, we present an orbital surface hopping (OSH) algorithm rigorously derived from the orbital quantum classical…
We propose a quantum Monte Carlo (QMC) algorithm for non-equilibrium dynamics in a system with a parameter varying as a function of time. The method is based on successive applications of an evolving Hamiltonian to an initial state and…
The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semi-classical…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…
We review the main features of the Weyl-Wigner formulation of noncommutative quantum mechanics. In particular, we present a $\star$-product and a Moyal bracket suitable for this theory as well as the concept of noncommutative Wigner…
Transition from quantum to semiclassical behaviour and loss of quantum coherence for inhomogeneous perturbations generated from a non-vacuum initial state in the early Universe is considered in the Heisenberg and the Schr\"odinger…
Phase-space features of the Wigner flow for generic one-dimensional systems with a Hamiltonian, $H^{W}(q,\,p)$, constrained by the $\partial ^2 H^{W} / \partial q \partial p = 0$ condition are analytically obtained in terms of Wigner…
We consider performing adiabatic rapid passage (ARP) using frequency-swept driving pulses to excite a collection of interacting two-level systems. Such a model arises in a wide range of many-body quantum systems, such as cavity QED or…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
We describe the quantum dynamics of the Hubbard model at semi-classical level, by implementing the Time-Dependent Variational Principle (TDVP) procedure on appropriate macroscopic wavefunctions constructed in terms of su(2)-coherent states.…
In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved…
We derive a semi-classical nonequilibrium work identity by applying the Wigner-Weyl quantization scheme to the Jarzynski identity for a classical Hamiltonian. This allows us, to the leading order in $\hbar$, to overcome the problem of…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
We elucidate the basic physical mechanisms responsible for the quantum-classical transition in one-dimensional, bounded chaotic systems subject to unconditioned environmental interactions. We show that such a transition occurs due to the…