Related papers: A Bloch decomposition based split-step pseudo spec…
The time-dependent fields obtained by solving partial differential equations in two and more dimensions quickly overwhelm the analytical capabilities of the human brain. A meaningful insight into the temporal behaviour can be obtained by…
Due to the seminal works of Hochbruck and Ostermann exponential splittings are well established numerical methods utilizing operator semigroup theory for the treatment of semilinear evolution equations whose principal linear part involves a…
We analyze a numerical instability that occurs in the well-known split-step Fourier method on the background of a soliton. This instability is found to be very sensitive to small changes of the parameters of both the numerical grid and the…
By using quasi--derivatives we develop a Fourier method for studying the spectral gaps of one dimensional Schr\"odinger operators with periodic singular potentials $v.$ Our results reveal a close relationship between smoothness of…
An initial-boundary value problem for the $n$-dimensional ($n\geq 2$) time-dependent Schr\"odinger equation in a semi-infinite (or infinite) parallelepiped is considered. Starting from the Numerov-Crank-Nicolson finite-difference scheme, we…
This work considers numerical methods for the time-dependent Schr\"{o}dinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that…
We perform a systematic study of the accuracy of split-step Fourier transform methods for the time dependent Gross-Pitaevskii equation using symbolic calculation. Provided the most recent approximation for the wave function is always used…
This paper is concerned with the efficient numerical computation of solutions to the 1D stationary Schr\"odinger equation in the semiclassical limit in the highly oscillatory regime. A previous approach to this problem based on explicitly…
Periodically driven quantum systems can be used to realize quantum pumps, ratchets, artificial gauge fields and novel topological states of matter. Starting from the Keldysh approach, we develop a formalism, the Floquet-Boltzmann equation,…
We study the nonlinear Schr\"odinger equation with a periodic delta-function potential. This realizes a nonlinear Kr\"onig-Penney model, with physical applications in the context of trapped Bose-Einstein condensate alkaly gases and in the…
In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…
We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
We develop a hierarchical functional derivative method to investigate the reduced dynamics of a quantum dissipative system within the framework of a stochastic decoupling description. Keeping only the lowest order truncation of the…
We consider semiclassical Schr\"odinger operators on the real line of the form $$H(\hbar)=-\hbar^2 \frac{d^2}{dx^2}+V(\cdot;\hbar)$$ with $\hbar>0$ small. The potential $V$ is assumed to be smooth, positive and exponentially decaying…
Traditionally, finite differences and finite element methods have been by many regarded as the basic tools for obtaining numerical solutions in a variety of quantum mechanical problems emerging in atomic, nuclear and particle physics,…
We consider the semiclassical (zero-dispersion) limit of the one-dimensional focusing Nonlinear Schroedinger equation (NLS) with decaying potentials. If a potential is a simple rapidly oscillating wave (the period has the order of the…
We present an efficient and robust semi-analytical formulation to compute the electric potential due to arbitrary-located point electrodes in three-dimensional cylindrically stratified media, where the radial thickness and the medium…
This paper introduces a new boundary element formulation for transient electromagnetic scattering by homogeneous dielectric objects based on the time-domain PMCHWT equation. To address dense-mesh breakdown, a multiplicative Calderon…
In this paper, we present quantum algorithms for a class of highly-oscillatory transport equations, which arise in semiclassical computation of surface hopping problems and other related non-adiabatic quantum dynamics, based on the…