[molpro-user] UMP2 documentation

Kelly Higgins higgins at otto.harvard.edu
Tue Oct 3 13:08:21 BST 2006

Hello Everyone,
      Is documentation available for the UMP2 command?  It appears to be
mentioned once in the 2006.1 manual (parenthetically in the Open-Shell
Coupled Clusters chapter, where it mentions UMP2 is the only method that
uses UHF wave functions).  I've been using Molpro for ten years and up
until 30 minutes ago I was under the impression it didn't do open-shell
MP2.  Is it part of the open-shell coupled cluster routine?  Does it
require numerical gradients in optimizations?  Just some of the
questions I have about UMP2 in Molpro.

Thanks in advance for any help,
Kelly Higgins

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