相关论文: Roaming dynamics in Ketene isomerization
Deviations of molecular shapes from spherical symmetry may give rise to a variety of novel phenomena, including their dynamic behavior. It has recently been predicted [Mazza \textit{et al}. Phys. Rev. Lett. \textbf{105}, 227802 (2010)] that…
The internal motion in a molecule, in which isomerization processes occur, is characterized by two essentially different modes of motion - oscillatory and rotational. The quantum equation of motion which describes an isomerization process…
The transformation of a system from one state to another is often mediated by a bottleneck in the system's phase space. In chemistry these bottlenecks are known as \emph{transition states} through which the system has to pass in order to…
We consider the rate of transition for a particle between two metastable states coupled to a thermal environment for various magnitudes of the coupling strength, using the recently proposed infrequent metadynamics approach (Tiwary and…
Slow-fast dynamics and resonant phenomena can be found in a wide range of physical systems, including problems of celestial mechanics, fluid mechanics, and charged particle dynamics. Important resonant effects that control transport in the…
In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown,…
A light-driven molecular motor system is investigated using a multi-state Brownian ratchet model described by a single effective coordinate with multiple electronic states in a dissipative environment. The rotational motion of the motor…
Cosmic-ray transport in turbulent astrophysical environments remains a multifaceted problem and, despite decades of study, the impact of complex magnetic field geometry -- evident in simulations and observations -- has only recently…
We demonstrate that active rotations in chemically signalling particles, such as autochemotactic {\it E. coli} close to walls, create a route for pattern formation based on a nonlinear yet deterministic instability mechanism. For slow…
We present a simple theory accounting for two central observations in a recent experiment on quantum coarsening and collective dynamics on a programmable quantum simulator [T. Manovitz et al., Nature \textbf{638}, 86 (2025)]: an apparent…
The emergent dynamics in phase-separated mixtures of isometric active and passive Brownian particles is studied numerically in two dimensions. A novel steady-state of well-defined traveling fronts is observed, where the interface between…
A family of orbiting resonances in molecular scattering is globally described by using a single pole moving in the complex angular momentum plane. The extrapolation of this pole at negative energies gives the location of the bound states.…
We study transport at finite bias, i.e. beyond the linear regime, through two interacting resonant levels connected by a Fermi sea, by means of time-dependent density matrix renormalization group. We first consider methodological issues,…
We investigate a two-component reaction-diffusion system with a slow-fast structure and spatially varying coefficients $f_1$ and $f_2$ appearing in the slow equation. Under mild boundedness and regularity conditions on $f_1$ and $f_2$ the…
We consider wave transport phenomena in a $\mathcal{PT}$-symmetric extension of the periodically-kicked quantum rotator model and reveal that dynamical localization assists the unbroken $\mathcal{PT}$ phase. In the delocalized (quantum…
Plasma turbulence is a key challenge in understanding transport phenomena in magnetically confined plasmas. This work presents a novel approach using periodic orbit theory to analyze plasma turbulence, identifying fundamental structures…
We study a stiff quasi-periodic orbit of the electromagnetic two-body problem of Dirac's electrodynamics of point charges. We expand the delay equations of motion about circular orbits to obtain the variational equations up to nonlinear…
This report deals with the basic concepts on deducing transit times for quantum scattering: the stationary phase method and its relation with delay times for relativistic and non-relativistic tunneling particles. We notice that the…
In reconstituting k-mer models, extended objects which occupy several sites on a one dimensional lattice, undergo directed or undirected diffusion, and reconstitute -when in contact- by transferring a single monomer unit from one k-mer to…
We apply random-matrix-theory (RMT) to the analysis of evolution of wavepackets in energy space. We study the crossover from ballistic behavior to saturation, the possibility of having an intermediate diffusive behavior, and the feasibility…