| 4:43:59 AM PST - Thu, Jan 23rd 2020 |
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Dear NWchem team,
I would like to ask you a question regarding how NWchem calculates the MP2 correlation energy. If I understand correctly, this is calculated in mp2_grad/mp2_energy.
It would be very helpful for us if you supplied the references for the equations that are implemented. In addition, could you specify exactly which subroutines are involved in the calculation of the MP2 energy?
Thanks
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