Related papers: Symplectic Pseudospectral Time-Domain Scheme for S…
A class of nonstandard pseudospectral time domain (PSTD) schemes for solving time-dependent hyperbolic and parabolic partial differential equations (PDEs) is introduced. These schemes use the Fourier collocation spectral method to compute…
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…
We describe a parallel algorithm for solving the time-independent 3d Schrodinger equation using the finite difference time domain (FDTD) method. We introduce an optimized parallelization scheme that reduces communication overhead between…
In this paper, an improvement of the finite difference time domain (FDTD) method using a non-standard finite difference scheme is presented. The standard numerical scheme for the second derivative in the spatial domain is replaced by a…
Pseudospectral time domain (PSTD) methods are widely used in many branches of acoustics for the numerical solution of the wave equation, including biomedical ultrasound and seismology. The use of the Fourier collocation spectral method in…
In order to solve the time-independent three-dimensional Schr\"odinger equation, one can transform the time-dependent Schr\"odinger equation to imaginary time and use a parallelized iterative method to obtain the full three-dimensional…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…
We approximate the solution for the time dependent Schr\"odinger equation (TDSE) in two steps. We first use a pseudo-spectral collocation method that uses samples of functions on rank-1 or rank-r lattice points with unitary Fourier…
We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr\"odinger equation. When discretized in space, the Schr\"odinger equation can be recast as a classical Hamiltonian system…
We extend the publicly available quantumfdtd code. It was originally intended for solving the time-independent three-dimensional Schr\"odinger equation via the finite-difference time-domain (FDTD) method and for extracting the ground,…
In this paper, we propose a numerical method to approximate the solution of the time-dependent Schr\"odinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral…
Fourier transform-based methods enable accurate, dispersion-free simulations of time-domain scattering problems by evaluating solutions to the Helmholtz equation at a discrete set of frequencies sufficient to approximate the inverse Fourier…
The purpose of this document is to describe the solution and implementation of the time-independent and time-dependent Schr\"odinger using pseudospectral methods. Currently, the description is for single particle systems interacting with a…
Simulation of unsteady creeping flows in complex geometries has traditionally required the use of a time-stepping procedure, which is typically costly and unscalable. To reduce the cost and allow for computations at much larger scales, we…
Pseudospectral numerical schemes for solving the Dirac equation in general static curved space are derived using a pseudodifferential representation of the Dirac equation along with a simple Fourier-basis technique. Owing to the presence of…
We present a stochastic method for solving the time-dependent Schr\"odinger equation, generalizing a ground-state full configuration interaction Quantum Monte Carlo method. By performing the time-integration in the complex plane close to…
We introduce a numerical method for the solution of the time-dependent Schrodinger equation with a smooth potential, based on its reformulation as a Volterra integral equation. We present versions of the method both for periodic boundary…
Efficient methods for generating samples of wave packet trajectories are needed to build machine learning models for quantum dynamics. However, simulating such data by direct integration of the time-dependent Schrodinger equation can be…
A universal numerical method is developed for the investigation of magnetic neutron scattering. By applying the pseudospectral-time-domain (PSTD) algorithm to the spinor version of the Schr\"odinger equation, the evolution of the spin-state…
In this work, we present a numerical method that remedies the instabilities of the conventional FDTD approach for solving Maxwell's equations in a space-time dependent magneto-electric medium with direct application to the simulation of the…