[molpro-user] correlation energy

Leaf cylin at rsc.anu.edu.au
Wed Sep 7 10:53:19 BST 2005

Dear Molpro users.

I am trying to obtain the "EXACT" calculated energy for Be atom with  

I found the HF energy is satisfactory, but the MP2, is wrong by 0.56  
mHartree by comparing with other programs.

This is a series issue, and believed to be the problem while not all  
the orbitals are included in the calculation.
Is there a flag/keyword to turn on the full MP2, CCSD calculation?

btw, "core" doesn't work.


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