[molpro-user] Si(3P) ccsd(t)

Arfon Smith pcxams at nottingham.ac.uk
Mon Aug 2 16:11:27 BST 2004

Hello molpro users

I am trying to calculate the energy of the triplet P ground state of Silicon.  I wish to freeze the 1s, 2s and 2p orbitals.

I have been using the input :





I am currently trying to repeat a calculation and know what energy I'm after but I seem to be a bit out.  Is the above input correct for a 1s 2s 2p frozen core?

Many thanks

Arfon Smith

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