High precision theoretical study of the hydrogen ion.
Date of Award
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A study of the hydrogen molecule-ion H+2 is presented. The purpose is to show that a carefully modified, doubled basis set in the standard Hylleraas coordinates provides an excellent, yet straightforward, description of this ion without recourse to approximation methods. Three non-linear parameters are used so that distance scales may be set independently for all three radial coordinates r 1, r2 and r12. Vibrational modes are effectively accounted for by including only high powers of the inter-proton coordinate r12. High precision variational calculations are carried out for the 1 1 S ground state, and the first two excited states---2 1S and 2 3P. Source: Dissertation Abstracts International, Volume: 65-07, Section: B, page: 3504. Adviser: G. W. F. Drake. Thesis (Ph.D.)--University of Windsor (Canada), 2004.
Cassar, Mark Michael., "High precision theoretical study of the hydrogen ion." (2004). Electronic Theses and Dissertations. 2297.