Keyword category:

Configuration Interaction / Spin State

n-ET

Description

Constrains the spin multiplicity of the primary CI eigenstate to be n, i.e., an n-et, corresponding to n - 1 unpaired electrons. For ROOT=m, the m^th lowest-energy n-et CI eigenstate will be the primary eigenstate.

See also:

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