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AbstractAbstract
[en] All the presently available techniques for solving Schroedinger's differential equation for helium-like atoms display poor convergence of the wave function in the neighborhood of the singularities of the Hamiltonian operator. In general most of the methods of solving this equation will converge in the appropriate limit to the exact wave function; however, convergence is slow, especially near the singularities of this differential equation. These difficulties become readily apparent from local energy studies. A technique is presented that avoids these difficulties. The wave function it produces is specifically most accurate at the singularities of the Hamiltonian. The novel aspect of this treatment is the subdivision of the space spanned by the wave function. Different expansions are picked such that they converge rapidly in each of the different subdivisions. These expansions may be constructed in such a way that they obey the boundary conditions in their respective subdivision. Most importantly, all the information available from the recursion relations associated with the differential equation may be incorporated into these expansions. A systematic procedure is presented such that these expansions may be brought together to form a wave function that satisfies all the continuity requirements. An S-state helium wave function was constructed to demonstrate that this method of treatment is feasible, and capable of indefinite systematic improvement. A discussion of several new asymptotic expansions that were constructed for the helium wave function, as well as an improved functional form for the small electron-nucleus wave function, is included in this presentation
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Source
1975; 158 p; University Microfilms Order No. 76-14,490.; Thesis (Ph. D.).
Record Type
Report
Literature Type
Thesis/Dissertation
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