Numerische Lösung der eindimensionalen Schrödinger-Gleichung für verzweigte π-Elektronensysteme mit einem Digitalrechner

W. Stratmann, F. F. Seelig
1967 Zeitschrift fur Naturforschung A-A Journal of Physical Sciences  
In the one-dimensional electron gas model the solutions of a one-dimensional SCHRÖDINGER equation are needed. For this purpose the usual HAMILTONIAN is substituted by its finite-difference-approxi-mation. This yields a set of formulae which enable to find the solutions of the SCHRÖDINGER equation by an iterative method. Special provisions are made for the one-dimensional coordinate, which may have a branched form. A program in FORTRAN II for the calculation of the absorption maxima of organic dyes is shortly described.
doi:10.1515/zna-1967-0703 fatcat:oxm2y2tcqrdgxfdf3ewft5owzi