Efficient wavefunction propagation by minimizing accumulated action

Details Efficient wavefunction propagation by minimizing accumulated action Efficient wavefunction propagation by minimizing accumulated action

2010-07-20

arxiv.org/abs/1007.3381v3

Computer Physics Communications Volume 182, Issue 4, April 2011, Pages 935-939

Physics

Computational Physics

Scientific paper

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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