[molpro-user] CCSDT applicability parameter?

[Stephen Harrison]

Dear User list,

Someone has informed me that contained within Molpro is a parameter which
gives a numerical indication as to how useful a CCSD (and variants
thereof) calculation is for a particular molecule. i.e. It really is most
useful when there is purely 1 electronic configuration thats dominant. I
have never carried out any CCSD calculations in molpro before, does this
indicator appear automatically?

Thanks very much indeed,
Stephen Harrison
UCL


-- 
Stephen Harrison, Msci.
stephen.harrison at ucl.ac.uk
stephen at quantemol.com

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