[molpro-user] Spherical multiple moments
george.economides at spc.ox.ac.uk
Wed Jun 23 12:16:27 BST 2010
Dear Molpro user,
Is there a way to evaluate the spherical tensor moments for a complex or molecule (up to hexadecapole if possible) using RS2 or CIPT2 methods? Also, could you please clarify what are the formulae used (as for example there was an numerical factor difference from the Stone's expression for the quadrupole moment I think)?
Thank you in advance,
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