[molpro-user] CCSD-EOM transition moment units?

Jussi Eloranta 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.

Jussi Eloranta
Cal State Northridge

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