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Re: CCSD(T) Optimization

Thomas Patko
tpatko@gmail.com


To the best of my knowledge, couple cluster is not implemented in Firefly at this time.  What sort of a system are you investigating?  Perhaps there is another method for your optimization that might be suitable that is currently implemented.

Cheers,

Thomas

On Sat Jan 24 '09 9:16pm, Jamshid Najafpour wrote
-------------------------------------------------
>Dear Prof. Granovsky;

>How can I optimize with CCSD(T)/6-311G(d,p)?

>Jamshid
>Whishes


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