[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...?
thanks
___________________________
Jeremy Merritt
Graduate Student, Roger Miller lab
University of North Carolina
Chapel Hill

Voice:919-962-1579
Fax:919-843-6041
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20050920/dd2d75c3/attachment.html>


More information about the Molpro-user mailing list