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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…

Quantum Physics · Physics 2012-12-05 Frederick Ira Moxley , Weizhong Dai

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…

High Energy Physics - Phenomenology · Physics 2021-12-16 Rafael L. Delgado , Sebastian Steinbeißer , Michael Strickland , Johannes H. Weber

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…

Computational Physics · Physics 2018-08-21 I Wayan Sudiarta

A symplectic pseudospectral time-domain (SPSTD) scheme is developed to solve Schrodinger equation. Instead of spatial finite differences in conventional finite-difference time-domain (FDTD) method, the fast Fourier transform is used to…

Computational Physics · Physics 2018-05-09 Jing Shen , Wei E. I. Sha , Xiaojing Kuang , Jinhua Hu , Zhixiang Huang , Xianliang Wu

We present a proof of concept for solving a 1+1D complex-valued, delay partial differential equation (PDE) that emerges in the study of waveguide quantum electrodynamics (QED) by adapting the finite-difference time-domain (FDTD) method. The…

Mathematical Software · Computer Science 2018-11-19 Yao-Lung L. Fang

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,…

High Energy Physics - Phenomenology · Physics 2023-01-02 Rafael L. Delgado , Sebastian Steinbeißer , Michael Strickland , Johannes H. Weber

The Finite Difference Time Domain (FDTD) method is a widely used numerical technique for solving Maxwell's equations, particularly in computational electromagnetics and photonics. It enables accurate modeling of wave propagation in complex…

Computation and Language · Computer Science 2025-04-15 Yifei He , Måns I. Andersson , Stefano Markidis

A general method for numerical computation of the thermal density matrix of a single-particle quantum system is presented. The Schrodinger equation in imaginary time tau is solved numerically by the finite difference time domain (FDTD)…

Computational Physics · Physics 2009-02-12 I. Wayan Sudiarta , D. J. Wallace Geldart

Finite-difference time-domain (FDTD) is an effective algorithm for resolving Maxwell equations directly in time domain. Although FDTD has obtained sufficient development, there still exists some improvement space for it, such as…

Computational Physics · Physics 2023-03-29 Huicheng Guo , Henglei Du , Chengpu Liu

An efficient finite-difference time-domain (FDTD) algorithm is built to solve the transverse electric 2D Maxwell's equations with inhomogeneous dielectric media where the electric fields are discontinuous across the dielectric interface.…

Computational Physics · Physics 2023-07-14 Timothy Meagher , Bin Jiang , Peng Jiang

The finite-difference time-domain (FDTD) method is a flexible and powerful technique for rigorously solving Maxwell's equations. However, three-dimensional optical nonlinearity in current commercial and research FDTD softwares requires…

Optics · Physics 2017-12-27 Charles Varin , Rhys Emms , Graeme Bart , Thomas Fennel , Thomas Brabec

We develop a quantum algorithm for solving high-dimensional time-fractional heat equations. By applying the dimension extension technique from [FKW23], the $d+1$-dimensional time-fractional equation is reformulated as a local partial…

Numerical Analysis · Mathematics 2025-09-25 Shi Jin , Nana Liu , Yue Yu

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

The finite difference time domain (FDTD) method has been successfully applied to obtain energies and wave functions for two electrons in a quantum dot modeled by a three dimensional harmonic potential. The FDTD method uses the…

Computational Physics · Physics 2017-06-12 I Wayan Sudiarta , Lily Maysari Angraini

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…

Numerical Analysis · Mathematics 2019-05-20 Yuya Suzuki , Dirk Nuyens

We present a new parallel numerical method for solving the non-stationary Schr\"odinger equation with linear nonlocal condition and time-dependent potential which does not commute with the stationary part of the Hamiltonian. The given…

Numerical Analysis · Mathematics 2018-09-21 Dmytro Sytnyk

We present a parallel version of the well-known Split-Step Fourier method (SSF) for solving the Nonlinear Schr\"odinger equation, a mathematical model describing wave packet propagation in fiber optic lines. The algorithm is implemented…

Computational Physics · Physics 2007-05-23 S. M. Zoldi , V. Ruban , A. Zenchuk , S. Burtsev

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…

Materials Science · Physics 2024-01-17 Rei Nagaya , Haruki Omatsu , Daniel M. Packwood

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…

Numerical Analysis · Mathematics 2020-07-01 Yuya Suzuki , Gowri Suryanarayana , Dirk Nuyens

A Finite-Difference Time-Domain (FDTD) scheme with Perfectly Matched Layers (PMLs) is considered for solving the time-dependent Schr\"{o}dinger equation, and simulate the ionization of an electron initially bound to a one-dimensional…

Mesoscale and Nanoscale Physics · Physics 2020-04-02 Høgni C. Kamban , Sigurd S. Christensen , Thomas Søndergaard , Thomas G. Pedersen
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