相关论文: Molecular dynamics at an energy-level crossing

Processes that break molecular bonds are typically observed with molecules occupying a mixture of quantum states and successfully described with quasiclassical models, while a few studies have explored the distinctly quantum mechanical…

We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is…

We address the formulation and analysis of energy and momentum conserving time integration schemes in the context of particle dynamics, and in particular atomic systems. The article identifies three critical aspects of these models that…

Rare events in molecular dynamics are often related to noise-induced transitions between different macroscopic states (e.g., in protein folding). A common feature of these rare transitions is that they happen on timescales that are on…

This work investigated the first-chance survival probabilities of highly excited compound superheavy nuclei in the prospect of synthesizing new superheavy elements. The main feature of our modelings is the adoption of microscopic…

Crossing survival curves complicate how we interpret results from a clinical trial's primary endpoint. We find the function to determine a crossing point's location depends exponentially on individual survival curves. This exponential…

We study the collision dynamics of surfactant-laden droplets and compare it with that of pure water droplets, with a focus on the bridge growth rate, energy balance, and disk dynamics, distinguishing the cases of head-on and off-centre…

We describe, at the microscopic level, the dynamics of N interacting components where the probability is very small when N is large that a given component interact more than once, directly or indirectly, up to time t, with any other…

Many examples of cooperation exist in biology. In chemical systems however, which can sometimes be quite complex, we do not appear to observe intricate cooperative interactions. A key question for the origin of life, is then how can…

The long time behaviour of the survival probability of initial state and its dependence on the initial states are considered, for the one dimensional free quantum particle. We derive the asymptotic expansion of the time evolution operator…

The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two…

We make the first steps towards a generic theory for energy spreading and quantum dissipation. The Wall formula for the calculation of friction in nuclear physics and the Drude formula for the calculation of conductivity in mesoscopic…

For a Landau-Zener transition in a two-level system, the probability for a particle, initially in the first level, {\em i}, to survive the transition and to remain in the first level, depends exponentially on the square of the tunnel matrix…

A model describing nuclear collisions at intermediate energies is presented and the results are compared with recently measured double differential cross sections in C-C reactions at 95 MeV/nucleon. Results show the key role played by…

We study analytically and numerically the dynamics of the generalized Rosenzweig-Porter model, which is known to possess three distinct phases: ergodic, multifractal and localized phases. Our focus is on the survival probability $R(t)$, the…

When the initial state of a quantum mechanical system is an excited state, then it is expected that the occupation, or survival, probability of that state will decrease. This is studied numerically within the Bixon-Jortner model, which was…

A known limitation of time-dependent mean-field approaches is a lack of quantum tunneling for collective motions such as in sub-barrier fusion reactions. As a first step toward a solution, a time-dependent model is considered using a…

We consider a system of clusters made of elementary building blocks, monomers, and evolving via collisions between diffusing monomers and immobile composite clusters. In our model, the cluster-monomer collision can lead to the attachment of…

Using coherent states as initial states, we investigate the quantum dynamics of the Lipkin-Meshkov-Glick (LMG) and Dicke models in the semi-classical limit. They are representative models of bounded systems with one- and two-degrees of…

Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…