[molpro-user] Printing transition density matrices

Francoise Remacle FRemacle at ulg.ac.be
Thu Nov 11 20:36:50 GMT 2010


Dear MOLPRO users,
I would like to print the transition density matrices  at a fixed 
geometry for an averaged MC-SCF MULTI computation. Is this possible?
If I need to perform a CI;NOEXC computation after the MULTI, what is the 
more efficient way to proceed.
Many thanks in advance,
Francoise Remacle






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