[molpro-user] CCSD-EOM transition moment units?
jmeloranta at gmail.com
Thu Dec 3 15:49:42 GMT 2009
I am looking at the output from CCSD-EOM calculation where the
transition moments between ground and excited states are listed:
Bra< 1.1|, Ket | 1.5>
EOM-CCSD trans. dipole moment 0.00000000 0.00000000 -1.65793248< 1.1| 1.5>
Is the transition moment reported in a.u or Debye? I am guessing that is in
a.u. but I want to be sure. BTW would be a good idea to include the
units in the output to avoid confusion.
Cal State Northridge
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