A Gaussian wave packet transform is developed for the efficient computation of the semi-classical limit of the multidimensional Schrodinger equation with smooth potential. This transformation, based on Gaussian wave packets, yields a Schrodinger-type equation that is very amenable to numerical solution in the semi-classical limit. The transformed Schrodinger equation is solved with a 4th order splitting method. The wave function can be reconstructed from the transformed wave function whereas some expectation values can easily be evaluated directly. The number of grid points needed per degree of freedom is small enough that computations in dimension of up to 4 or 5 are feasible without the use of any basis thinning procedures. (C) 2013 Elsevier Inc. All rights reserved.
|Titolo:||The Gaussian wave packet transform: Efficient computation of the semi-classical limit of the Schrodinger equation. Part 2. Multidimensional case|
|Data di pubblicazione:||2014|
|Appare nelle tipologie:||1.1 Articolo in rivista|