Advanced Physical Chemistry Problems (II), Hydrogen Atom and Hyrdrogen Molecular Ion

Slightly advanced problems in Physical Chemistry, herein concerning the H-atom and the Hydrogen Molecular Cation, are presented and discussed.

Variational Calculation of the Hydrogen Molecular Cation Using Maple

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.

Variational Calculation of the Hydrogen Molecular Cation using Maple (II). The pi and pi-star Orbitals

The pi and pi-star orbitals of the hydrogen molecular cation are obtained using Maple in the same manner as the sigma and sigma-star orbitals were obtained in paper-36.