Related papers: On transition rates in surface hopping
Non-thermal dynamical critical behavior can arise in isolated quantum systems brought out of equilibirum by a change in time of their parameters. While this phenomenon has been studied in a variety of systems in the case of a sudden quench,…
In this article we address the problem of the nonlinear interaction of subdiffusive particles. We introduce the random walk model in which statistical characteristics of a random walker such as escape rate and jump distribution depend on…
In the study of non-adiabatic chemical processes such as photocatalysis and photosynthesis, non-adiabatic molecular dynamics (NAMD) is an indispensable theoretical tool, which requires precise potential energy surfaces (PESs) of ground and…
Quantum walk based hash functions have attracted a lot of attention in recent years because of its faster execution time and robust resistance against attacks compared to classical hash functions. It has been observed that the underlying…
We study a one-dimensional exclusion process with a fixed jump length $I \ge 1$ in which a particle may advance or retreat $I$ sites provided all intermediate sites are vacant, with hopping rates of Arrhenius type depending on the local…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We present a theoretical approach to the scattering of molecules…
The discrete Hamiltonian of Su, Schrieffer and Heeger (SSH) is a well-known one-dimensional translation-invariant model in condensed matter physics. The model consists of two atoms per unit cell and describes in-cell and out-of-cell…
Modelling the propagation of a pulse in a dense {\em milieu} poses fundamental challenges at the theoretical and applied levels. To this aim, in this paper we generalize the telegraph equation to non-ideal conditions by extending the…
In this article, we investigate the transient behavior of a sequence of packets/bits traversing a multi-hop wireless network. Our work is motivated by novel applications from the domain of process automation, Machine-Type Communication…
Experimental observations have long-established that there exists a smooth roll-off or knee transition between the temperature-limited (TL) and full-space-charge-limited (FSCL) emission regions of the emission current density-temperature…
We investigate two types of dynamical quantum phase transitions (DQPTs) in the transverse field Ising model on ensembles of Erd\H{o}s-R\'enyi networks of size $N$. These networks consist of vertices connected randomly with probability $p$…
We study the quantum dynamics of a one-dimensional spin-1/2 anisotropic XY model in a transverse field when the transverse field or the anisotropic interaction is quenched at a slow but uniform rate. The two quenching schemes are called…
Many chemical reactions can be formulated in terms of particle diffusion in a complex energy landscape. Transition path theory (TPT) is a theoretical framework for describing the direct (reaction) pathways from reactant to product states…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
We present a simplified version of the threshold dynamics algorithm given in the work of Esedoglu and Otto (2015). The new version still allows specifying N-choose-2 possibly distinct surface tensions and N-choose-2 possibly distinct…
Monitored quantum many-body systems display a rich pattern of entanglement dynamics, which is unique to this non-unitary setting. This work studies the effect of quantum jumps on the entanglement dynamics beyond the no-click limit…
We exploit the concept of Landau-Zener transitions at avoided energy crossings as a quantum-control tool. In an avoided crossing the two quantum states interchange their characteristics as an external parameter is varied. Depending on the…
In the real-time manipulation of quantum states, it is necessary to dynamically control the parameters of the system's Hamiltonian. We have studied the survival probability during the conveyance of a particle by a trapping potential, where…
We consider the problem of efficiently simulating stochastic models of chemical kinetics. The Gillespie Stochastic Simulation algorithm (SSA) is often used to simulate these models, however, in many scenarios of interest, the computational…