[molpro-user] transition dipoles between atomic orbitals

anikodem at ulg.ac.be anikodem at ulg.ac.be
Wed May 28 13:16:08 BST 2014


Dear MOLPRO users,

So far I have only found descriptions to get transition dipole moments between states in MOLPRO. Is there a way to also get the transition dipole moments between the atomic orbitals? I am using MOLPRO version 2012.1.

Any help will be highly appreciated.
With best regards,
Astrid Nikodem




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