[molpro-user] excited state geometry optimization

Subhendu Ghosh sgchem865 at gmail.com
Mon Feb 24 11:42:31 GMT 2014


Sir,
    What will be the input for geometry optimization of a molecule in 1st
singlet excited state (S1) in CASSCF(8,8) method?
thanks.

-- 
*Best Wishes & Regards*

*Subhendu Ghosh*
*Banaras Hindu University*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140224/7707a141/attachment.html>


More information about the Molpro-user mailing list