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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
TRIPLET — Triplet state required.
TRIPLET
Constrains the spin multiplicity of the primary CI eigenstate to be 3, i.e., a triplet,
corresponding to 2 unpaired electrons. For
ROOT=n,
the nthe lowest-energy triplet CI eigenstate will be the primary eigenstate.
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