[molpro-user] MRCIS and MRCISD calculation

Subhendu Ghosh sgchem865 at gmail.com
Fri Jan 1 10:02:58 CET 2016


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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