Variational time-dependent Hartree–Fock calculations. III. Potential curves for two-electron molecular systems

Time-dependent Hartree–Fock calculations of excitation energies, oscillator strengths, and related properties are reported for the molecules H2 and HeH+. For a wide range of internuclear separations, the results are in accord with more refined comparison data. The comparison demonstrates that the time-dependent Hartree–Fock method yields accurate molecular properties over a range of internuclear distances.