Efficient wavefunction propagation by minimizing accumulated action
arXiv:1007.3381 · doi:10.1016/j.cpc.2010.12.030
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.