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One route to numerically propagating quantum systems is time dependent density functional theory (TDDFT). The application of TDDFT to a particular system's time evolution is predicated on V-representability which we have analyzed in a…

Chemical Physics · Physics 2015-03-03 J. D. Whitfield

We consider the scattering problem on locally perturbed periodic penetrable dielectric layers, which is formulated in terms of the full vector-valued time-harmonic Maxwell's equations. The right-hand side is not assumed to be periodic. At…

Analysis of PDEs · Mathematics 2019-08-23 Alexander Konschin

We discuss stationary solutions of the discrete nonlinear Schr\"odinger equation (DNSE) with a potential of the $\phi^{4}$ type which is generically applicable to several quantum spin, electron and classical lattice systems. We show that…

Mathematical Physics · Physics 2015-06-26 Harj S. Dhillon , Fjodor V. Kusmartsev , Karl E. Kürten

This paper is concerned with a numerical solution to the scattering of a time-harmonic electromagnetic wave by a bounded and impenetrable obstacle in three dimensions. The electromagnetic wave propagation is modeled by a boundary value…

Numerical Analysis · Mathematics 2022-02-21 Gang Bao , Mingming Zhang , Xue Jiang , Peijun Li , Xiaokai Yuan

We develop a new approach to electron transport in mesoscopic systems by using a particular single-particle basis. Although this basis generates redundant many-particle amplitudes, it greatly simplifies the treatment. By using our method…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Shmuel Gurvitz

In this work, the propagation of an ultrasonic pulse in a thin plate is computed solving the differential equations modeling this problem. To solve these equations finite differences are used to discretize the temporal variable, while…

Calculating strong-field, momentum-resolved photoelectron spectra (PES) from numerical solutions of the time-dependent Schr\"odinger equation (TDSE) is a very demanding task due to the large spatial excursions and drifts of electrons in…

Atomic Physics · Physics 2017-11-21 Volker Mosert , Dieter Bauer

We propose a method for solving the time independent Schr\"odinger equation based on the von Neumann (vN) lattice of phase space Gaussians. By incorporating periodic boundary conditions into the vN lattice [F. Dimler et al., New J. Phys.…

Quantum Physics · Physics 2015-06-03 Asaf Shimshovitz , David J. Tannor

Of primary interest in this paper is the numerical approximation of a time dependent fractional, in space, diffusion equation where the domain is assumed to be nonhomogeneous, having different axial diffusion coefficients. This work is…

Numerical Analysis · Mathematics 2026-05-12 T. Catoe , V. J. Ervin

In this paper, we present a simple analytical method for obtaining a nonspreading solution of the time-dependent Schr\"odinger equation, which is given by the Airy function. The solution is derived by imposing a restriction on the phase…

Quantum Physics · Physics 2016-12-19 Tamoghna Majumdar , Maitraya Kanta Bhattacharyya , Kumble Rajesh Nayak

This chapter reviews and compares discontinuous Galerkin time-stepping methods for the numerical approximation of second-order ordinary differential equations, particularly those stemming from space finite element discretization of wave…

Numerical Analysis · Mathematics 2025-05-12 Paola F. Antonietti , Alberto Artoni , Gabriele Ciaramella , Ilario Mazzieri

In this paper, we use an implicit two-derivative deferred correction time discretization approach and combine it with a spatial discretization of the discontinuous Galerkin spectral element method to solve (non-)linear PDEs. The resulting…

Numerical Analysis · Mathematics 2022-07-13 Jonas Zeifang , Jochen Schuetz

We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…

Atomic Physics · Physics 2017-07-11 Szilárd Majorosi , Attila Czirják

We use variable transformation from the real line to finite or semi-infinite spaces where we expand the regular solution of the 1D time-independent Schrodinger equation in terms of square integrable bases. We also require that the basis…

Quantum Physics · Physics 2022-06-20 E. El Aaoud , H. Bahlouli , A. D. Alhaidari

A typical procedure to integrate numerically the time dependent Schr\"o\-din\-ger equation involves two stages. In the first one carries out a space discretization of the continuous problem. This results in the linear system of differential…

Numerical Analysis · Mathematics 2015-04-10 Sergio Blanes , Fernando Casas , Ander Murua

We have carried out calculations of the triple-differential cross section for one-photon double ionization of molecular hydrogen for a central photon energy of $75$~eV, using a fully {\it ab initio}, nonperturbative approach to solve the…

Atomic Physics · Physics 2016-11-17 Xiaoxu Guan , Klaus Bartschat , Barry I. Schneider

We found a simple procedure for the solution of the time - independent Schrodinger equation in one dimension without making any approximation. The wave functions are always periodic. Two difficulties may be encountered: one is to solve the…

Quantum Physics · Physics 2007-05-23 H. H. Erbil

In this study, a variety of methods are tested and compared for the numerical solution of the Schr\"odinger equation for few-body systems with explicitely time-dependent Hamiltonians, with the aim to find the optimal one. The configuration…

Quantum Physics · Physics 2013-02-01 Jonas C. Cremon

We present and analyze a multiscale method for wave propagation problems, posed on spatial networks. By introducing a coarse scale, using a finite element space interpolated onto the network, we construct a discrete multiscale space using…

Numerical Analysis · Mathematics 2023-04-12 Morgan Görtz , Per Ljung , Axel Målqvist

We propose a fourth-order unfitted characteristic finite element method to solve the advection-diffusion equation on time-varying domains. Based on a characteristic-Galerkin formulation, our method combines the cubic MARS method for…

Numerical Analysis · Mathematics 2022-06-09 Chuwen Ma , Qinghai Zhang , Weiying Zheng