[molpro-user] mid bond functions

Jeremy Merritt merritjm at unc.edu
Tue Sep 20 21:13:53 BST 2005

Dear Molpro Users,
How does one implement mid-bond functions in molpro?
Can i simply put a whole atoms basis functions, at the midpoint of a bond or does one need to
build up their own contractions etc...?
Jeremy Merritt
Graduate Student, Roger Miller lab
University of North Carolina
Chapel Hill

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