J. Chem. Phys. 115, 3545-3552 (2001).
(Received 6 December 2000; accepted 5 June 2001)
Triplet excitation energies are derived in the approximate triples model CC3 using an explicit spin coupled triplet excitation space. The explicit spin coupled excitation space gives considerable computational savings compared to the spin-orbital approach. Sample calculations are performed on the Be2 and CH2 systems and the performance of the CC3 results are evaluated from comparison with full configuration interaction (FCI) results.
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