Automatic computation of quantum-mechanical bound states and wavefunctions

Abstract
We discuss the automatic solution of the multichannel Schrödinger equation. The proposed approach is based on the use of a CP method for which the step size is not restricted by the oscillations in the solution. Moreover, this CP method turns out to form a natural scheme for the integration of the Riccati differential equation which arises when introducing the (inverse) logarithmic derivative. A new Prüfer type mechanism which derives all the required information from the propagation of the i...

Title of program: MATCAS
Catalogue Id: AEON_v1_0

Nature of problem
Computation of eigenvalues and eigenfunctions of multichannel Schrödinger equations appearing in quantum mechanics.

Versions of this program held in the CPC repository in Mendeley Data
AEON_v1_0; MATCAS; 10.1016/j.cpc.2012.12.016

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)