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 |
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Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 0010-4655 1879-2944 |
DOI: | 10.1016/j.cpc.2010.12.030 |