相关论文: Surface hopping methodology in laser-driven molecu…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
The motion of molecules on solid surfaces is of interest for technological applications, but it is also a theoretical challenge. We study the deterministic and thermal diffusive dynamics of a dimer moving on a periodic substrate. The…
The position and motion of localized states of light in propagative geometries can be controlled via an adequate parameter modulation. Here, we show theoretically and experimentally that this process can be accurately described as the phase…
Structure-based coarse graining of molecular systems offers a systematic route to reproduce the many-body potential of mean force. Unfortunately, common strategies are inherently limited by the molecular mechanics force field employed.…
Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that…
The dynamic localization in energy space -- suppression of the absorption of energy from an external microwave field due to quantum interference -- was analyzed recently for a closed quantum dot in the absence of electron-electron…
It was recently shown [G. Albareda, et al., Phys. Rev. Lett. 113, 083003 (2014)] that within the conditional decomposition approach to the coupled electron-nuclear dynamics, the electron-nuclear wave function can be exactly decomposed into…
We propose a new direction in quantum simulation that uses multilevel atoms in an optical cavity as a toolbox to engineer new types of bosonic models featuring correlated hopping processes in a synthetic ladder spanned by atomic ground…
We consider a basic model of the lossless interaction between a moving two-level atom and a standing-wave single-mode laser field. Classical treatment of the translational atomic motion provides the semiclassical Hamilton-Schrodinger…
We determine the propagation properties of a quantum particle in a d-dimensional lattice with hopping disorder, delta-correlated in time. The system is delocalized: the averaged transition probability shows a diffusive behavior. Then,…
Quantum computers are a leading platform for the simulation of many-body physics. This task has been recently facilitated by the possibility to program directly the time-dependent pulses sent to the computer. Here, we use this feature to…
We revisit a recent proposal to model nonadiabatic problems with a complex-valued Hamiltonian through a phase-space surface hopping (PSSH) algorithm employing a pseudo-diabatic basis. Here, we show that such a pseudo-diabatic PSSH (PD-PSSH)…
In this article we examine the dynamics of a colloidal particle driven by a modulated force over a sinusoidal optical potential energy landscape. Coupling between the competing frequencies of the modulated drive and that of particle motion…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…
We introduce a geometrical framework to construct a large class of time-dependent quantum systems, in which the position of a classical particle moving autonomously on a smooth connected manifold is used to steer a quantum Hamiltonian over…
The stochastic dynamics of a rigid inclusion constrained to move on a curved surface has many applications in biological and soft matter physics, ranging from the diffusion of passive or active membrane proteins to the motion of phoretic…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
Motivated by a computer science algorithm known as `linear probing with hashing' we study a new type of percolation model whose basic features include a sequential `dropping' of particles on a substrate followed by their transport via a…
The behavior of classical and quantum wave beams in stationary media is shown to be ruled by a "Wave Potential" function encoded in Helmholtz-like equations, determined by the structure itself of the beam and taking, in the quantum case,…
Topological properties of physical systems can lead to robust behaviors that are insensitive to microscopic details. Such topologically robust phenomena are not limited to static systems but can also appear in driven quantum systems. In…