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Molecule

T A Corry, P J O'Malley, Localized Bond Orbital Analysis of the Bonds of O2, JPCA 124, 9771 (2020)

L Bytautas, N Matsunaga, K Ruedenberg, Accurate ab initio potential energy curve of O2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum, JCP 132, 074307 (2010)

L Bytautas, K Ruedenberg, Accurate ab initio potential energy curve of O2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method, JCP 132, 074109 (2010)