SEXTET

SEXTET
	Appendix A. Keyword Reference

Name

SEXTET — RHF sextet state required.

Synopsis

 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.

Abbreviation:

SEXT

Requires:

none

Default value:

none

See also:

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

Copyright © 1992-2013 Semichem, Inc. All rights reserved.


SEPTET		SHOWPARAM