Variational Calculation of the Hydrogen Molecular Cation Using Maple

Authors

Carl W. David, University of ConnecticutFollow

Document Type

Article

Abstract

The variational calculation of the energy of the Hydrogen Molecular (H₂⁺) Cation's LCAO-MO for the sigma and sigma* states as functions of the AO's screening constant and the internuclear distance is carried out explicitly in great detail.

Recommended Citation

David, Carl W., "Variational Calculation of the Hydrogen Molecular Cation Using Maple" (2007). Chemistry Education Materials. 35.
https://digitalcommons.lib.uconn.edu/chem_educ/35