Automatic computation of quantum-mechanical bound states and wavefunctions

Published: 1 April 2013| Version 1 | DOI: 10.17632/ws3tz3v5gc.1
V. Ledoux, M. Van Daele


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)



Computational Physics, Computational Method