Efficient wavefunction propagation by minimizing accumulated action

Zachary B. Walters

doi:10.1016/j.cpc.2010.12.030

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arXiv · 1007.3381

Efficient wavefunction propagation by minimizing accumulated action

Zachary B. Walters

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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.

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physics.comp-ph math-ph math.MP physics.atom-ph quant-ph

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Zachary B. Walters. 2011-08-08. Efficient wavefunction propagation by minimizing accumulated action. https://doi.org/10.1016/j.cpc.2010.12.030

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