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We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. For potentials which are constant outside a bounded domain,…

Chemical Physics · Physics 2023-07-10 Jason Kaye , Alex Barnett , Leslie Greengard , Umberto De Giovannini , Angel Rubio

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

The time-dependent equations of computational electrodynamics (CED) are evolved consistent with the divergence constraints. As a result, there has been a recent effort to design finite volume time domain (FVTD) and discontinuous Galerkin…

Computational Physics · Physics 2018-11-14 Dinshaw S. Balsara , Roger Kappeli

Derivative boundary conditions introduce challenges for mesh-free discretizations of PDEs on surfaces, especially when the domain is represented by randomly sampled point clouds. The recently developed two-step tangent-space RBF-generated…

Numerical Analysis · Mathematics 2026-03-31 Peng Chen , Shixiao Willing Jiang , Rongji Li , Qile Yan

We prove in this paper that the solution of the time-dependent Schr{\"o}dinger equation can be expressed as the solution of a global space-time quadratic minimization problem that is amenable to Galerkin time-space discretization schemes,…

Numerical Analysis · Mathematics 2026-04-08 Mi-Song Dupuy , Virginie Ehrlacher , Clément Guillot

A novel discontinuous Galerkin (DG) method is developed to solve time-dependent bi-harmonic type equations involving fourth derivatives in one and multiple space dimensions. We present the spatial DG discretization based on a mixed…

Numerical Analysis · Mathematics 2019-10-02 Hailiang Liu , Peimeng Yin

A new near-to-far-field transformation algorithm for three-dimensional finite-different time-domain is presented in this article. This new approach is based directly on the polarization current of the scatterer, not the scattered near…

Optics · Physics 2015-05-13 Yong Zeng , Jerome V. Moloney

A variationally improved Sturmian approximation for solving time-independent Schr\"odinger equation is developed. This approximation is used to obtain the energy levels of a quartic anharmonic oscillator, a quartic potential, and a Gaussian…

Quantum Physics · Physics 2009-11-07 Ali Mostafazadeh

The numerical simulation of the time-dependent Schr\"odinger equation for quantum systems is a very active research topic. Yet, resolving the solution sufficiently in space and time is challenging and mandates the use of modern…

Numerical Analysis · Mathematics 2020-06-11 Hannah Rittich , Robert Speck

Solutions of time-independent Schrodinger equation for potentials periodic in space satisfy Bloch theorem. The theorem has been used to obtain solutions of the Schrodinger equation for periodic systems by expanding them in terms of plane…

Computational Physics · Physics 2013-11-19 Manoj K. Harbola

Physical laws governing population dynamics are generally expressed as differential equations. Research in recent decades has incorporated fractional-order (non-integer) derivatives into differential models of natural phenomena, such as…

Numerical Analysis · Mathematics 2022-12-08 A. P. Harris , T. A. Biala , A. Q. M. Khaliq

In this paper a finite difference/local discontinuous Galerkin method for the fractional diffusion-wave equation is presented and analyzed. We first propose a new finite difference method to approximate the time fractional derivatives, and…

Numerical Analysis · Mathematics 2015-07-29 Leilei Wei

In the present paper invariant subspace method has been extended for solving systems of multi-term fractional partial differential equations (FPDEs) involving both time and space fractional derivatives. Further the method has also been…

Analysis of PDEs · Mathematics 2019-04-02 Sangita Choudhary , Varsha Daftardar-Gejji

In this note, two numerical methods of solving fractional differential equations (FDEs) are briefly described, namely predictor-corrector approach of Adams-Bashforth-Moulton type and multi-step generalized differential transform method…

Numerical Analysis · Mathematics 2018-06-11 Alireza Momenzadeh , Sima Sarv Ahrabi

Finite discrete-time dynamical systems (FDDS) model phenomena that evolve deterministically in discrete time. It is possible to define sum and product operations on these systems (disjoint union and direct product, respectively) giving a…

Discrete Mathematics · Computer Science 2025-02-05 François Doré , Kévin Perrot , Antonio E. Porreca , Sara Riva , Marius Rolland

The linear Schr\"odinger equation with piecewise constant potential in one spatial dimension is a well-studied textbook problem. It is one of only a few solvable models in quantum mechanics and shares many qualitative features with…

Analysis of PDEs · Mathematics 2018-07-02 Natalie E Sheils , Bernard Deconinck

An approximate method is proposed to solve position dependent mass Schr\"odinger equation. The procedure suggested here leads to the solution of the PDM Schr\"odinger equation without transforming the potential function to the mass space or…

Quantum Physics · Physics 2015-05-19 Ramazan Koc , Seda Sayin

The selective frequency damping (SFD) method is an alternative to classical Newton's method to obtain unstable steady-state solutions of dynamical systems. However this method has two main limitations: it does not converge for arbitrary…

Fluid Dynamics · Physics 2015-10-28 Bastien E. Jordi , Colin J. Cotter , Spencer J. Sherwin

Fractional partial differential equations with distributed-order fractional derivatives describe some important physical phenomena. In this paper, we propose a local discontinuous Galerkin (LDG) method for the distributed-order time and…

Numerical Analysis · Mathematics 2017-10-04 Tarek Aboelenen

A semi-implicit finite difference time domain (FDTD) numerical Maxwell solver is developed for full electromagnetic Particle-in-Cell (PIC) codes for the simulations of plasma-based acceleration. The solver projects the volumetric Yee…

Plasma Physics · Physics 2020-08-26 Alexander Pukhov