eprintid: 10061820
rev_number: 23
eprint_status: archive
userid: 608
dir: disk0/10/06/18/20
datestamp: 2018-11-21 14:17:23
lastmod: 2020-04-27 03:20:44
status_changed: 2018-11-26 16:33:57
type: article
metadata_visibility: show
creators_name: Shen, J
creators_name: Sha, WEI
creators_name: Kuang, X
creators_name: Hu, J
creators_name: Huang, Z
creators_name: Wu, X
title: Symplectic pseudospectral time-domain scheme for solving time-dependent schrödinger equation
ispublished: pub
divisions: UCL
divisions: A01
divisions: B04
divisions: C05
note: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
abstract: A symplectic pseudospectral time-domain (SPSTD) scheme is developed to solve Schrödinger equation. Instead of spatial finite differences in conventional finite-difference time-domain (FDTD) methods, fast Fourier transform is used to calculate spatial derivatives. In time domain, the scheme adopts high-order symplectic integrators to simulate time evolution of Schrödinger equation. A detailed numerical study on the eigenvalue problems of 1D quantum well and 3D harmonic oscillator is carried out. The simulation results strongly confirm the advantages of the SPSTD scheme over the traditional PSTD method and FDTD approach. Furthermore, by comparing to the traditional PSTD method and the non-symplectic Runge-Kutta (RK) method, the explicit SPSTD scheme, which is an infinite order of accuracy in space domain and energy-conserving in time domain, is well suited for a long-term simulation.
date: 2018
date_type: published
official_url: http://ceta.mit.edu/pierm/pier.php?paper=18010808
oa_status: green
full_text_type: other
language: eng
primo: open
primo_central: open_green
article_type_text: Journal Article
verified: verified_manual
elements_id: 1569185
doi: 10.2528/PIERM18010808
lyricists_name: Sha, Wei
lyricists_id: WSHAX37
actors_name: Sha, Wei
actors_id: WSHAX37
actors_role: owner
full_text_status: public
publication: Progress In Electromagnetics Research M
volume: 66
pagerange: 109-118
issn: 1098-8963
citation:        Shen, J;    Sha, WEI;    Kuang, X;    Hu, J;    Huang, Z;    Wu, X;      (2018)    Symplectic pseudospectral time-domain scheme for solving time-dependent schrödinger equation.                   Progress In Electromagnetics Research M , 66    pp. 109-118.    10.2528/PIERM18010808 <https://doi.org/10.2528/PIERM18010808>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/10061820/7/Shen_1805.03155v1.pdf