transition density matrices

James A.J. Fitzpatrick j.fitzpatrick at
Tue Apr 30 12:39:35 BST 2002

Dear Molpro users,

I am trying to work out whether it is possible to save a transition
density matrix. I can do this in the MRCI program using the dm command
to save the density matrix when calculating two tates of the same
symmetry. Is it possible to do the same for the RHF and MULTI programs
as well.

Many thanks in advance,
James A.J. Fitzpatrick
                                         Postal address:
Tel: +44 117 928 9938                   School of Chemistry
Fax: +44 117 925 0612                   Cantock's Close
j.fitzpatrick at                Bristol BS8 1TS       United Kigdom

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