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Re^3: CCSD(T) Optimization

Alex Granovsky
gran@classic.chem.msu.su

On Sun Aug 30 '15 8:29pm, shanthi wrote

>Could u please tell the method equivalent to CCSD(T) calculations...?

Dear shanthi,

Within Firefly the closest method to CCSD(T) is MP4-SDTQ. Note there
are to analytic gradients programmed for it.

Kind regards,
Alex Granovsky


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