Efficient wavefunction propagation by minimizing accumulated action

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...

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Veröffentlicht in:Computer physics communications 2011-04, Vol.182 (4), p.935-939
1. Verfasser: Walters, Zachary B.
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2010.12.030