Non-adiabatic potentials for H2+

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Abstract
In principle exact non-adiabatic pseudo-potentials for H2 + and D2 + are formulated in terms of the theory of conditional probability amplitudes in wave mechanics. Numerical results for the v = 0 and v = 1 (J = 0) states of H2 + are derived from previously computed accurate non-adiabatic wave-functions. These results indicate that the non-adiabatic pseudo-potentials only differ from the adiabatic potential by small energies of the same magnitude as the non-adiabatic corrections to the adiabatic energy levels.