"High precision theoretical study of the hydrogen ion." by Mark Michael Cassar

Date of Award

2004

Publication Type

Doctoral Thesis

Degree Name

Ph.D.

Department

Physics

Keywords

Physics, Atomic.

Supervisor

Drake, G.

Rights

info:eu-repo/semantics/openAccess

Abstract

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.

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