Transition dipole moments for selected excitations
tim at loki.otago.ac.nz
Wed Apr 30 06:13:14 BST 2003
I am wanting to determine the contributions of individual CSFs
(excitations) to the transition dipole moment (for a CASSCF calculation).
In other words, calculate the transition moments for single excitations
which consitute the major components of an electronic transition.
Is it possible for this information to be printed with molpro?
Much thanks to those who reply,
Department of Chemistry
University of Otago
64 3 479 5214
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