OCTET

OCTET
	Appendix A. Keyword Reference

Name

OCTET — RHF octet state required.

Synopsis

 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.

Abbreviation:

OCTE

Requires:

none

Default value:

none

See also:

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

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OCI		OLDCMMINDO