[molpro-user] Transition density matrices from CASSCF

lilianna bryjko lbryjko at yahoo.com
Mon Sep 12 17:22:58 BST 2011


I performed CASSCF calculations with Cs symmetry on uracil. I would like to ask how I can save transition density matrices for example: for 1.2-1.1 or 3.2-2.1
transition from my calculations. I noticed that dm option print only charge density matrices.

Best wishes,
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