[molpro-user] Convergence of Triples in UCCSD(T)-F12 calculation

Ralf Tonner r.e.tonner at massey.ac.nz
Wed Nov 25 21:59:51 GMT 2009


thanks to Kirk, Benj and Gerald for the suggestions.
I will have a closer look at the system and get back to the list later.
The jobs take a while.


Dr. Ralf Tonner               <R.E.Tonner at massey.ac.nz>
Postdoctoral Research Fellow
Centre for Theoretical Chemistry and Physics
New Zealand Institute for Advanced Study
Massey University Albany                    NEW ZEALAND
Phone (64) 09 414 0800 extn 41545  Fax (64) 09 443 9779
http://ctcp.massey.ac.nz/  and  http://www.nzias.ac.nz/

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