[molpro-user] transition dipole moment

[H. -J. Werner]

The result should be stored in variable TRDMY
Joachim Werner
On Fr, 08 Apr 2005, William Chua wrote:

>Dear Molpro Users,
>
>How does one extract the result of a transition dipole
>moment calculation, e.g.
>
>  !MRCI MATR. ELEMENT <2.2|DMY|1.2>      0.22839954
>A.U.              0.58049571  DEBYE
> 
>for automatic tabulation by Molpro at the end of the
>calculation?
> 
>Sincerely,
> 
>Chua
>
>
>
>		
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-- 
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 4400
Fax.: (0049) 711 / 685 4442
e-mail: werner at theochem.uni-stuttgart.de