[molpro-user] RCCSDT open shell

Attila Bende attlbende at gmail.com
Mon Oct 30 13:59:06 CET 2017

Dear Molpro Developers and Users,

I would appreciate if somebody could help me in - What kind of
approximation can I use for RCCSD(T) open shell calculation in order to
reduce the huge volume of calculation data?

Reading the manual of 2012.1 version, I understand that the density-fitting
approximation cannot be used only just the F12 method.

Many thanks
Attila Bende

Dr. Bende Attila (PhD)
Senior Researcher I

National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.65-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 194 <0264%20584%20037>, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
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