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The singlet state can be formed by doubly occupying the 3ai orbital. This, however, neglects the possibility of double occupation of the orbital, an orbital not [Pg.298]

All configuration interaction (Cl) based treatments must utilize at least the one-configuration reference for the triplet and the two-configuration reference for the singlet. [Pg.299]

See other pages where Theoretical Considerations of Methylene is mentioned: [Pg.298]