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Re: CIS / spin multiplicity of ground state not equal to 1

Alex Granovsky
gran@classic.chem.msu.su


Hi,

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
------------------------------------------------
>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


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