Efficient wavefunction propagation by minimizing accumulated action

DOI10.1016/J.CPC.2010.12.030zbMATH Open1221.81062arXiv1007.3381OpenAlexW2058305947MaRDI QIDQ634069FDOQ634069

Authors: Zachary B. Walters 

Publication date: 2 August 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: This paper presents a new technique to calculate the evolution of a quantum wavefunction in a chosen spatial basis by minimizing the accumulated action. Introduction of a finite temporal basis reduces the problem to a set of linear equations, while an appropriate choice of temporal basis set offers improved convergence relative to methods based on matrix exponentiation for a class of physically relevant problems.

Full work available at URL: https://arxiv.org/abs/1007.3381

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zbMATH Keywords

actionpropagatortime dependence[https://portal.mardi4nfdi.de/w/index.php?title=+Special%3ASearch&search=time-dependent+Schr%EF%BF%BD%EF%BF%BDdinger+equation&go=Go time-dependent Schr��dinger equation]

Mathematics Subject Classification ID

Matrix exponential and similar functions of matrices (15A16) Time-dependent Schrödinger equations and Dirac equations (35Q41) Variational principles of physics (49S05) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

Cites Work

• Title not available (Why is that?)
• Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later
• Low-order polynomial approximation of propagators for the time-dependent Schrödinger equation
• Title not available (Why is that?)

Cited In (2)

• Exact solutions for the time-evolution of quantum spin systems under arbitrary waveforms using algebraic graph theory
• Bound state calculation of two-component Klein-Gordon equation with damped-relaxation technique

Uses Software

• PETSc
• Trilinos

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