[molpro-user] excited state optimization

Hoffman, Gerald GHOFFMAN at edinboro.edu
Sat Aug 25 02:36:43 BST 2012

How do I optimize the second electronic state of a particular symmetry, with two reference states, in an mrci calculation?  The manual does not seem to be clear on this.

Gerry Hoffman

Gerald J. Hoffman

Assistant Professor of Chemistry

Edinboro University of Pennsylvania

230 Scotland Road

Edinboro, PA 16444


ghoffman at edinboro.edu<mailto:ghoffman at edinboro.edu>

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