Related papers: Ab Initio Molecular Dynamics on the Electronic Bol…
This article reviews the current state of the art in the field of cold and ultracold molecules and demonstrates that chemical reactions, inelastic collisions and dissociation of molecules at subKelvin temperatures can be manipulated with…
We study the classical chaos appearing in a diatomic molecules $BeO$, $CO$ and $CN$ due to the interaction with a circularly polarized electric field, and its signature in Quantum Mechanics through the Wigner distribution function and the…
The dynamics of a discrete-time quantum walk (DTQW) can be realized within a purely classical interacting particle system composed of some boxes and a large but finite number of balls, and can, in principle, be implemented in a tabletop…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
A novel quantum-classical hybrid scheme is proposed to efficiently solve large-scale combinatorial optimization problems. The key concept is to introduce a Hamiltonian dynamics of the classical flux variables associated with the quantum…
A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce thermodynamic and structural properties. The motivation is to allow application of classical strong coupling theories and molecular…
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
The classical and quantum dynamics of the noncanonically coupled oscillators is considered. It is shown that though the classical dynamics is well--defined for both harmonic and anharmonic oscillators, the quantum one is well--defined in…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
Semiclassical electrodynamics is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be…
Energy transfer through quantum coherences plays an essential role in diverse natural phenomena and technological applications, such as human vision, light-harvesting complexes, quantum heat engines, and quantum information and computing.…
Preparation of non-trivial quantum states without introducing unwanted excitations or decoherence remains a central challenge in utilizing ultracold atomic systems for quantum simulation. We employ optimal control methods to realize fast,…
We derive the equilibrium conditions for a thermal atom-molecule mixture near a Feshbach resonance. Under the assumption of low collisional loss, thermodynamical properties are calculated and compared to the measurements of a recent…
Quantum trajectory techniques have been used in the theory of open systems as a starting point for numerical computations and to describe the monitoring of a quantum system in continuous time. Here we extend this technique and use it to…
It is shown, that Bose-Einstein statistical distributions can occur not only in quantum system, but in classical systems as well. The coherent dynamics of the system, or equivalently autocatalytic dynamics in momentum space of the system is…
The motion of celestial bodies in astronomy is closely related to the orbits of electrons encircling an atomic nucleus. Bohr and Sommerfeld presented a quantization scheme of the classical orbits to analyze the eigenstates of the hydrogen…
A comprehensive comparison of quantum evolution between the quantum and classical mechanically motion of nuclei in a finite-dimensional quantum chemistry model is presented. A modified version of Tavis-Cummings-Hubbard model with two…
We develop a systematic analytic approach to aging effects in quantum disordered systems in contact with an environment. Within the closed-time path-integral formalism we include dissipation by coupling the system to a set of independent…
The framework of entropic dynamics (ED) allows one to derive quantum mechanics as an application of entropic inference. In this work we derive the classical limit of quantum mechanics in the context of ED. Our goal is to find conditions so…
We study the dynamic properties of a thermal autonomous machine made up of two quantum Brownian particles, each of which is in contact with an environment at different temperature and moves on a periodic sinusoidal track. When such tracks…