The Oscillator Strength of H2+, 1sσ—2pσ

Abstract

The 1sσ—2pσ transition of H₂⁺ is investigated using exact two center wave functions and using approximate wave functions based on a linear combination of atomic orbitals (with both the dipole length and the dipole velocity formulas). It is found that at the equilibrium internuclear distance, 2.00 a₀, the true oscillator strength of the transition is 0.319; with the dipole length formula, the LCAO approximation yields a value some 1.4 times greater, and with the dipole velocity formula it yields a value some 0.54 times smaller. Results are given for internuclear distances between 0 and 9 a₀.