Keyword category:

Configuration Interaction / Spin State

OCTET

Description

Constrains the spin multiplicity of the primary CI eigenstate to be 8, i.e., an octet, corresponding to 7 unpaired electrons. For ROOT=n, the n^th lowest-energy octet CI eigenstate will be the primary eigenstate.

See also:

C.I., ROOT, OPEN, SINGLET, DOUBLET, etc.