Related papers: The Moving Born-Oppenheimer Approximation
Within the lowest-order Born approximation, we present an exact calculation of the time dynamics of the spin-boson model in the ohmic regime. We observe non-Markovian effects at zero temperature that scale with the system-bath coupling…
Strongly interacting one-dimensional quantum systems often behave in a manner that is distinctly different from their higher-dimensional counterparts. When a particle attempts to move in a one-dimensional environment it will unavoidably…
We introduce a framework to investigate ab-initio the dynamics of rare thermally activated reactions. The electronic degrees of freedom are described at the quantum-mechanical level in the Born-Oppenheimer approximation, while the nuclear…
While Born-Oppenheimer molecular dynamics (BOMD) has been widely studied by resorting to powerful methods in mathematical analysis, this paper presents a geometric formulation in terms of Hamilton's variational principle and…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
In the framework of the de Broglie-Bohm pilot-wave theory, or Bohmian mechanics, we examine two pedagogical problems that illustrate the bound and unbound motion of spin-1/2 particles: First, a single spin-1/2 particle trapped in the ground…
Quantum effects in a system of coupled atomic and molecular Bose-Einstein condensates in the framework of a two-mode model are studied numerically and analytically, using the discrete WKB approach. In contrast to the mean-field…
In this work, we report a new method to simulate active Brownian particles (ABPs) in molecular dynamics (MD) simulations. Immersed in a fluid, each ABP consists of a head particle and a spherical phantom region of fluid where the flagellum…
A theoretical analysis of the rotational dynamics induced by off axis binary collisions of quantum droplets constituted by ultracold atoms is reported. We focus on quantum droplets formed by degenerate dilute Bose gases made up from binary…
We analytically study the effect of gravitational and harmonic forces on ultra-cold atoms with synthetic spin-orbit coupling (SOC). In particular, we focus on the recently observed transitions between internal states induced by acceleration…
We study the Bloch dynamics of a quasi one-dimensional Bose-Einstein condensate of cold atoms in a tilted optical lattice modeled by a Hamiltonian of Bose-Hubbard type: The corresponding mean-field system described by a discrete nonlinear…
The mean-field approximations of many-boson dynamics are known to be effective in many physical relevant situations. The mathematical justifications of such approximations rely generally on specific considerations which depend too much on…
The mean field approximation is numerically validated in the bosonic case by considering the time evolution of quantum states and their associated reduced density matrices by many-body Schr\"odinger dynamics. The model phase-space is…
Many-mode interacting Bose gases (1D,2D,3D) are simulated from first principles. The model uses a second-quantized Hamiltonian with two-particle interactions (possibly ranged), external potential, and interactions with an environment, with…
We apply the Born--Oppenheimer approximation to a harmonic diatomic molecule with one electron. We compare the exact and approximate results not only for the internal degrees of freedom but also for the motion of the center of mass. We…
In several cases, open quantum systems can be successfully described using master equations relying on Born-Markov approximations, but going beyond these approaches has become often necessary. In this work, we introduce the NCA and…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
We study the equilibrium dynamics of a weakly interacting Bose-Einstein condensate trapped in a box. In our approach we use a semiclassical approximation similar to the description of a multi-mode laser. In dynamical equations derived from…
Out-of-time-order correlators (OTOCs) can be used to probe how quickly a quantum system scrambles information when the initial conditions of the dynamics are changed. In sufficiently large quantum systems, one can extract from the OTOC the…
The transport of ultra-cold atoms in magneto-optical potentials provides a clean setting in which to investigate the distinct predictions of classical versus quantum dynamics for a system with coupled degrees of freedom. In this system,…