Related papers: Quantum molecular dynamics study of the pressure d…
The pedagogic two stste system of the ammonia molecule is used to illustrate the phenomenon of environment induced molecular localization in pyramidal molecules. A semiclassical model is used to describe a gas of pyramidal molecules…
In a previous paper we proposed a model to describe a gas of pyramidal molecules interacting via dipole-dipole interactions. The interaction modifies the tunneling properties between the classical equilibrium configurations of the single…
This paper presents the inversion symmetry breaking observed in ion-pair formation from molecular hydrogen on electron impact. We explain these observations using quantum interference of two dissociation paths coherently accessed by…
The nonequilibrium dynamics of molecular devices is studied in the framework of a generic model for single-molecule transistors: a resonant level coupled by displacement to a single vibrational mode. In the limit of a broad level and in the…
We investigate via quantum molecular-dynamics simulations the thermophysical properties of shocked liquid ammonia up to the pressure 1.3 TPa and temperature 120000 K. The principal Hugoniot is predicted from wide-range equation of state,…
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…
The mechanism of the transition of a dynamical system from quantum to classical mechanics is one of the remaining challenges of quantum theory. Currently, it is considered to occur via decoherence caused by entanglement and/or stochastic…
In this Letter, we analyze the quantum dynamics of the perceptron model: a particle is constrained on a $N$-dimensional sphere, with $N\to \infty$, and subjected to a set of randomly placed hard-wall potentials. This model has several…
Quench dynamics is an active area of study encompassing condensed matter physics and quantum information, with applications to cold-atomic gases and pump-probe spectroscopy of materials. Recent theoretical progress in studying quantum…
The time dependence of one-dimensional quantum mechanical probability densities is presented when the potential in which a particle moves is suddenly changed, called a quench. Quantum quenches are mainly addressed but a comparison with…
We study the dynamics of cold atoms subjected to {\em pairs} of closely time-spaced $\delta$-kicks from standing waves of light. The classical phase space of this system is partitioned into momentum cells separated by trapping regions. In 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…
Molecular dynamics simulations are used to investigate the atomic mobility and diffusivity of a generalized Frenkel-Kontorova model which takes into account anharmonic (exponential) interaction of atoms subjected to a three-dimensional…
Quantum mechanical tunneling inversion transition in ammonia NH3 is actively used as a sensitive tool to study possible variations of the electron-to-proton mass ratio, mu = m_e/m_p. The molecule H3O+ has the inversion barrier significantly…
We investigate the difference between classical and quantum dynamics of coupled magnetic dipoles. We prove that in general the dynamics of the classical interaction Hamiltonian differs from the corresponding quantum model, regardless of the…
Based on a two-mode boson model, we study nonclassical properties of the atom-molecule Bose-Einstein condensate. The effects of nonlinear collisions on the dynamics of the molecular formation is studied both in classical and quantum…
Conventional information processors freely convert information between different physical carriers to process, store, or transmit information. It seems plausible that quantum information will also be held by different physical carriers in…
Nelson's stochastic mechanics formulates quantum dynamics as a real-time conservative diffusion process in which a particle undergoes Brownian-like motion with a fluctuation amplitude fixed by Planck's constant. While being mathematically…
We experimentally study a system of quantum kicked rotors - an ensemble of diatomic molecules exposed to a periodic sequence of ultrashort laser pulses. In the regime, where the underlying classical dynamics is chaotic, we investigate the…
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…