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The potential of the lowest excited singlet state of He2 is calculated. The best function includes 209 configurations constructed from 10 σ basis orbitals. Excellent agreement with experimental quantities depending on the shape of the potential near the minimum (equilibrium interatomic separation, vibrational and rotational constants for the lower vibration levels) is obtained. The dissociation energy is 18 600 cm-1, compared to the experimental 19 910±50 cm-1. Agreement is not as good for the highest vibrational levels.
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Mukamel et al. (1971) studied this question.
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