Alex Granovsky
gran@classic.chem.msu.su
it is possible to do this for ROHF reference using GUGA CI code
i.e. with CITYP=GUGA rather than CIS.
Kind regards,
Alex Granovsky
On Sat Apr 13 '13 11:02am, Patrick SK Pang wrote
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>Dear alls,
>Is it possible to perform the CIS calculation when the spin multiplicity of the ground state molecule is not equal to 1?
>Regards,
>Patrick