Search results for "convergence"
showing 10 items of 655 documents
Density-potential mappings in quantum dynamics
2012
In a recent letter [Europhys. Lett. 95, 13001 (2011)] the question of whether the density of a time-dependent quantum system determines its external potential was reformulated as a fixed point problem. This idea was used to generalize the existence and uniqueness theorems underlying time-dependent density functional theory. In this work we extend this proof to allow for more general norms and provide a numerical implementation of the fixed-point iteration scheme. We focus on the one-dimensional case as it allows for a more in-depth analysis using singular Sturm-Liouville theory and at the same time provides an easy visualization of the numerical applications in space and time. We give an ex…
A microscopic approach to Casimir and Casimir-Polder forces between metallic bodies
2014
We consider the Casimir-Polder interaction energy between a metallic nanoparticle and a metallic plate, as well as the Casimir interaction energy between two macroscopic metal plates, in terms of the many-body dispersion interactions between their constituents. Expressions for two- and three-body dispersion interactions between the microscopic parts of a real metal are first obtained, both in the retarded and non-retarded limits. These expressions are then used to evaluate, a compare each other, the overall two- and three-body contributions to the macroscopic Casimir-Polder and Casimir force, by summing up the contributions from the microscopic constituents of the bodies (metal nanoparticle…
Optimized time-dependent perturbation theory for pulse-driven quantum dynamics in atomic or molecular systems
2003
We present a time-dependent perturbative approach adapted to the treatment of intense pulsed interactions. We show there is a freedom in choosing secular terms and use it to optimize the accuracy of the approximation. We apply this formulation to a unitary superconvergent technique and improve the accuracy by several orders of magnitude with respect to the Magnus expansion.
Unitary time-dependent superconvergent technique for pulse-driven quantum dynamics
2003
We present a superconvergent Kolmogorov-Arnold-Moser type of perturbation theory for time-dependent Hamiltonians. It is strictly unitary upon truncation at an arbitrary order and not restricted to periodic or quasiperiodic Hamiltonians. Moreover, for pulse-driven systems we construct explicitly the KAM transformations involved in the iterative procedure. The technique is illustrated on a two-level model perturbed by a pulsed interaction for which we obtain convergence all the way from the sudden regime to the opposite adiabatic regime.
On the numerical scheme employed in gyrotron interaction simulations
2012
We report on the influence of the numerical scheme employed in gyrotron interaction simulations. Results obtained with the Crank-Nicolson scheme are compared with those obtained with the Backward Time – Centred Space (BTCS) fully implicit scheme. We present realistic cases where, for discretisation parameters in the range usually used in gyrotron simulations, the results can be very different. Hence, the numerical scheme used can be responsible for obscuring the underlying physics if its convergence is not tested carefully.
Invariant density and time asymptotics for collisionless kinetic equations with partly diffuse boundary operators
2018
This paper deals with collisionless transport equationsin bounded open domains $\Omega \subset \R^{d}$ $(d\geq 2)$ with $\mathcal{C}^{1}$ boundary $\partial \Omega $, orthogonallyinvariant velocity measure $\bm{m}(\d v)$ with support $V\subset \R^{d}$ and stochastic partly diffuse boundary operators $\mathsf{H}$ relating the outgoing andincoming fluxes. Under very general conditions, such equations are governedby stochastic $C_{0}$-semigroups $\left( U_{\mathsf{H}}(t)\right) _{t\geq 0}$ on $%L^{1}(\Omega \times V,\d x \otimes \bm{m}(\d v)).$ We give a general criterion of irreducibility of $%\left( U_{\mathsf{H}}(t)\right) _{t\geq 0}$ and we show that, under very natural assumptions, if an …
Memory expansion for diffusion coefficients
1998
We present a memory expansion for macroscopic transport coefficients such as the collective and tracer diffusion coefficients ${D}_{C}$ and ${D}_{T},$ respectively. The successive terms in this expansion for ${D}_{C}$ describe rapidly decaying memory effects of the center-of-mass motion, leading to fast convergence when evaluated numerically. For ${D}_{T},$ one obtains an expansion of similar form that contains terms describing memory effects in single-particle motion. As an example we evaluate ${D}_{C}$ and ${D}_{T}$ for three strongly interacting surface systems through Monte Carlo simulations, and for a simple model diffusion system via molecular dynamics calculations. We show that the n…
Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.
2011
In this work, we present relativistic corrections to first-order electrical properties obtained using fourth-order direct perturbation theory (DPT4) at the Hartree-Fock level. The considered properties, i.e., dipole moments and electrical-field gradients, have been calculated using numerical differentiation techniques based on a recently reported DPT4 code for energies [S. Stopkowicz and J. Gauss, J. Chem. Phys. 134, 064114 (2011)]. For the hydrogen halides HX, X=F, Cl, Br, I, and At, we study the convergence of the scalar-relativistic contributions by comparing the computed DPT corrections to results from spin-free Dirac-Hartree-Fock calculations. Furthermore, since in the DPT series spin-…
INFLUENCE OF THE INITIAL PHASE PROFILE ON THE ASYMPTOTIC SELF-SIMILAR PARABOLIC DYNAMICS
2009
International audience; We describe the influence of the initial phase profile on the convergence towards asymptotic self-similar parabolic shape. More precisely, based on numerical simulations, we discuss the impact of an initial linear chirp and a p phase shift. If the parabolic shape has been found to describe accurately the pulse envelope, dark structures can appear and evolve also self-similarly on the parabolic background.
Dynamic Phase Diagram of the REM
2019
International audience; By studying the two-time overlap correlation function, we give a comprehensive analysis of the phase diagram of the Random Hopping Dynamics of the Random Energy Model (REM) on time-scales that are exponential in the volume. These results are derived from the convergence properties of the clock process associated to the dynamics and fine properties of the simple random walk in the $n$-dimensional discrete cube.