Efficient wavefunction propagation by minimizing accumulated action

DOI10.1016/j.cpc.2010.12.030zbMath1221.81062arXiv1007.3381OpenAlexW2058305947MaRDI QIDQ634069

Zachary B. Walters

Publication date: 2 August 2011

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

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

zbMATH Keywords

propagatortime-dependent Schrödinger equationactiontime dependence

Mathematics Subject Classification ID

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

Related Items (1)

Bound state calculation of two-component Klein-Gordon equation with damped-relaxation technique

Uses Software

• PETSc
• Trilinos

Cites Work

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• Low-order polynomial approximation of propagators for the time-dependent Schrödinger equation
• Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later

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