CALCULATIONS OF ns-$\sigma$ RYDBERG SERIES FOR $H^{+}_{2}$
Loading...
Date
1971
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Calculations of molecular Rydberg states for $H+_{2}$ will be described using a set of orthonormal wave functions containing $\sigma_{z} (1{S}_{a} + 1{S}_{b})$ as a member of the orthonormal set. The remaining functions are centered at the midpoint between the two atoms. Two different types of functions are considered. The two different types of the basis functions indicate the importance of the continuum functions. The calculations are made for R = 2.0 bohr radii. The binding energy obtained is in very good agreement with calculations made using a larger set of basis functions.
Description
Author Institution: Department of Chemistry, North Texas State University; Department of Chemistry, University of Oregon