The use of single exponential orbitals in one-center molecular orbital calculations

Single-exponential Slater type orbitals of the form ψ₁ = (1 + L₁(r, θ) + L₂(r, θ) +…?+ L_n(r, θ)) exp (? αr) are examined for their potential use as one-center molecular orbitals. These are then to be used as molecular fragments in a LCMO study. The system examined is HeH^{+ +} with calculated energies and dipole moments being compared to the exact values. These functions behave best in the region of chemical interest (the bonding region) and thus demonstrate a possible usefulness in LCMO calculations and in the field of one-electron diatomics.