Related papers: Ab Initio Molecular Dynamics on the Electronic Bol…
We present a rigorous derivation of classical molecular dynamics (MD) from quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of molecular physics with Coulomb interactions. The derivation is valid away from possible…
We develop a classical theoretical description for nonlinear many-body dynamics that incorporates the back-action of a continuous measurement process. The classical approach is compared with the exact quantum solution in an example with an…
Classical thermodynamics is built with the concept of equilibrium states. However, it is less clear how equilibrium thermodynamics emerges through the dynamics that follows the principle of quantum mechanics. In this paper, we develop a…
Classical molecular dynamics (MD) is a well established and powerful tool in various fields of science, e.g. chemistry, plasma physics, cluster physics and condensed matter physics. Objects of investigation are few-body systems and…
This article gives an introduction to the realization of effective quantum magnetism with ultracold molecules in an optical lattice, reviews experimental and theoretical progress, and highlights future opportunities opened up by ongoing…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
We investigate the potential of a quantum Boltzmann equation without momentum conservation for description of strongly correlated electron systems out of equilibrium. In a spirit similar to dynamical mean field theory (DMFT), the momentum…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
The simple algorithm for the simulation and visualization of non relativistic quantum dynamics is proposed that is based on a collective behavior of classical particles. Any quantum particle is represented as the swarm of its classical…
The dynamics of a bilayer system of ultracold dipolar molecules exhibits classical and quantum glassy behavior, characterized by long tails in the relaxation time and dynamical heterogeneity. In the proposed setup, quantum fluctuations are…
A large number of multifaceted quantum transport processes in molecular systems and physical nanosystems can be treated in terms of quantum relaxation processes which couple to one or several fluctuating environments. A thermal equilibrium…
Atom-molecule equilibrium for molecular formation processes is discussed for boson-fermion, fermion-fermion, and boson-boson mixtures of ultracold atomic gases in the framework of quasichemical equilibrium theory. After presentation of the…
An extended variational principle providing the equations of motion for a system consisting of interacting classical, quasiclassical and quantum components is presented, and applied to the model of bilinear coupling. The relevant dynamical…
Derivation of the canonical (or Boltzmann) distribution based only on quantum dynamics is discussed. Consider a closed system which consists of mutually interacting subsystem and heat bath, and assume that the whole system is initially in a…
Following on from our recent work, we investigate a stochastic approach to non-equilibrium quantum spin systems. We show how the method can be applied to a variety of physical observables and for different initial conditions. We provide…
In this paper we explore the following question: can the probabilities constituting the quantum Boltzmann distribution, $P^B_n \propto e^{-E_n/kT}$, be derived from a requirement that the quantum configuration-space distribution for a…
We consider a system of N non-relativistic spinless quantum particles (``electrons'') interacting with a quantized scalar Bose field (whose excitations we call ``photons''). We examine the case when the velocity v of the electrons is small…
We examine the spatial distribution of electrons generated by a fixed energy point source in uniform, parallel electric and magnetic fields. This problem is simple enough to permit analytic quantum and semiclassical solution, and it harbors…
Entanglement within a given device provides a potential resource for quantum information processing. Entanglement between system and environment leads to decoherence (thus suppressing non-classical features within the system) but also opens…