Keyword category:

Configuration Interaction / Spin State

SEXTET

Description

Constrains the spin multiplicity of the primary CI eigenstate to be 6, i.e., a sextet, corresponding to 5 unpaired electrons. For ROOT=n, the n^th lowest-energy sextet CI eigenstate will be the primary eigenstate.

See also:

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