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The spherical limit of H
: A symmetry dilemma†
†
Based on a section of a thesis to be submitted to the senate of the Technion-Israel Institute of Technology, in partial fulfilment of the requirements for the D.Sc. degree.
Abstract
The spherical limit of H
is studied as an example of the occurrence of a symmetry dilemma of a kind which is a general characteristic of truncated one centre expansions. At internuclear distances just somewhat larger than the equilibrium distance the best spherical approximation turns out to be centred off the molecular midpoint and is thus a mixture of σg and σu. Rather detailed insight into the situation is gained by an analysis based on the electrostatic Hellmann-Feynman theorem.
