[molpro-user] Properties evaluation on quasi-diabatic states?

Seth Olsen seth.olsen at uq.edu.au
Fri Dec 21 04:43:09 GMT 2012


Is there a way to save densities of diabatic states in DDR for subsequent properties & orbital analysis?  Many Thanks.  -Seth

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Seth Olsen
ARC Australian Research Fellow
6-431 Physics Annexe
School of Mathematics and Physics
The University of Queensland
Brisbane QLD 4072 Australia
seth.olsen at uq.edu.au
+61 7 3365 2816
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