Singlehyphen;Configuration Wavefunctions and Potential Curves for Lowhyphen;Lying States ofHe2plus;,thinsp;Ne2plus;,thinsp;Ar2plus;,thinsp;F2minus;,thinsp;Cl2minus;and the Ground State of Cl2

摘要

Wavefunctions, orbital energies, and potential curves forHe2plus;,thinsp;Ne2plus;,thinsp;Ar2plus;,thinsp;F2minus;, andCl2minus;have been calculated in the molecularhyphen;orbital, selfhyphen;consistenthyphen;field approximation over a rangeRelsim; R infin;for the ground state and those excited states which dissociate into an atom and an ion in their ground states. The ground state potential curve for Cl2has been calculated forR sim; Re. Dissociation energies and other parameters obtained from the calculated potential curves are compared with corresponding parameters obtained from elastic differential scattering measurements and resonant electron capture in noble gases, measurements of afterglow line profiles in dissociative recombination radiation in neon and argon, optical absorption spectra ofVKcenters, and endoergic charge transfer studies of halogen ions and molecules. A formal analysis and discussion of the sources of correlation error in the calculated potential curves and a discussion of the expansion errors are also given.