[molpro-user] MRCIS and MRCISD calculation

[Kirk Peterson]

Try    mrci,nopair    to get MRCIS

best regards,

-Kirk


> On Jan 1, 2016, at 1:02 AM, Subhendu Ghosh <sgchem865 at gmail.com> wrote:
> 
> Dear Sir,
>         I am having problem in calculating geometry optimization in MRCIS and MRCISD in ground and excited state. Which key word makes the difference between the MRCIS and MRCISD. 
> 
> advance thanks for your help.
> 
> -- 
> Best Wishes & Regards
> 
> Subhendu Ghosh
> Banaras Hindu University
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