Related papers: Methods for molecular dynamics with nonadiabatic t…
Dirac particle represents a fundamental constituent of our nature. Simulation of Dirac particle dynamics by a controllable quantum system using quantum walks will allow us to investigate the non-classical nature of dynamics in its discrete…
The exact stochastic decomposition of non-Markovian dissipative quantum dynamics is combined with the time-dependent semiclassical initial value formalism. It is shown that even in the challenging regime of moderate friction and low…
The spatio-temporally periodic (STP) potential is interesting in Physics due to the intimate coupling between its time and spatial components. In this paper we begin with a brief discussion of the dynamical behaviors of a single particle in…
In closed quantum systems, a dynamical phase transition is identified by nonanalytic behaviors of the return probability as a function of time. In this work, we study the nonunitary dynamics following quenches across exceptional points in a…
We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…
This paper is devoted to a generalisation of the quantum adiabatic theorem to a nonlinear setting. We consider a Hamiltonian operator which depends on the time variable and on a finite number of parameters and acts on a separable Hilbert…
A systematic study of small, time-dependent, perturbations to geometric wave-equation domains is hardly existent. Acoustic enclosures are typical examples featuring locally reacting surfaces that respond to a pressure gradient or a pressure…
The exact time-dependent potential energy surface driving the nuclear dynamics was recently shown to be a useful tool to understand and interpret the coupling of nuclei, electrons, and photons, in cavity settings. Here we provide a detailed…
We derive an exact solution of an explicitly time-dependent multichannel model of quantum mechanical nonadiabatic transitions. In the limit N >>1, where N is the number of states, we find that the survival probability of the initially…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
Quantum dynamics for arbitrary system are traditionally realized by time evolutions of wave functions in Hilbert space and/or density operators in Liouville space. However, the traditional simulations may occasionally turn out to be…
In this paper, one of the major shortcomings of the conventional numerical approaches is alleviated by introducing the probabilistic nature of molecular transitions into the framework of classical computational electrodynamics. The main aim…
Considerable theoretical and experimental efforts have been devoted to the quench dynamics, in particular, the dynamical quantum phase transition (DQPT) and the steady-state transition. These developments have motivated us to study the…
The `local time on curves' formula of Peskir provides a stochastic change of variables formula for a function whose derivatives may be discontinuous over a time-dependent curve, a setting which occurs often in applications in optimal…
We propose a concatenated approach for implementing transitionless quantum driving regardless of adiabatic conditions while being robustness with respect to all kinds of systematic errors induced by pulse duration, pulse amplitude,…
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010)], and on the formulation of the degenerate adiabatic theorem, along with its…
An extension of the Hellmann-Feynman theorem to one employing dynamical parameters that vary with time according to quantum dynamics is rigorously derived, avoiding any linear response or other approximations. The resulting theorem for the…
We study the dynamics of a one-dimensional classical particle in a space and time dependent potential with randomly chosen parameters. The focus of this work is a quasi-periodic potential, which only includes a finite number of Fourier…
* ACTIVATED RANDOM WALK MODEL * This is a conservative particle system on the lattice, with a Markovian continuous-time evolution. Active particles perform random walks without interaction, and they may as well change their state to…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…