[molpro-user] excited state optimization

[Hoffman, Gerald]

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



814-732-2813



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


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20120825/6dd93f95/attachment.html>