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ROHF-CCSD(T) using MP2 Natural orbitals #165

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ChemTheory opened this issue Aug 14, 2015 · 2 comments
Closed

ROHF-CCSD(T) using MP2 Natural orbitals #165

ChemTheory opened this issue Aug 14, 2015 · 2 comments

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@ChemTheory
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Dear Psi4 Developers,

I would like to carry out a single point rohf-ccsd(t) calculation on an anion using mp2 natural orbital. Is this calculation possible in psi4?

Sincerely,
Kaye Archer
Jordan Lab
University of Pittsburgh
Pittsburgh, PA 15260
@loriab
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loriab commented Aug 14, 2015

Trying to jump-start the forum, and this topic seemed suitable. Moved to http://forum.psicode.org/t/rohf-ccsd-t-using-mp2-natural-orbitals/51

@amjames
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amjames commented Nov 13, 2015

This one was moved to the forum I think we can close it now @loriab

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@loriab @ryanmrichard @amjames @ChemTheory