[molpro-user] transition dipole moment

William Chua dodong70 at yahoo.com
Fri Apr 8 09:56:48 BST 2005


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



		
__________________________________ 
Yahoo! Messenger 
Show us what our next emoticon should look like. Join the fun. 
http://www.advision.webevents.yahoo.com/emoticontest



More information about the Molpro-user mailing list