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After the calculations on one-electron atoms with simple discretization methods in part II of this work, more powerful techniques are presented here. The method of ARICKX was transferred to our one-dimensional calculations, and a fast „energy profile method" is used with which the excited states of one-electron atoms can be reproduced with high accuracy. The simplest polyatomic particle, H +  2 , can be integrated into the formalism without any difficulties because of the general applicability of the integral kernel. Good results are available for this system, and a geometry optimization yields the same core distance as given in the literature.

Die Lösung der Schrödinger-Gleichung als eindimensionales Problem. III. Einelektronsysteme mit verbesserten Diskretisierungsmethoden