Peter Knowles peterk at tc.bham.ac.uk
Tue Feb 20 17:01:28 GMT 2001

Not such a dumb question, but I'm afraid that the answer is 'no'. It
is possible to uncontracted as far as singly-external configurations,
but the uncontracted doubly-external configurations have never beeen
programmed in our code.
Sorry to disappoint.
Amity Andersen wrote at 11:31 on 16 February 2001:
 > Dear Prof. Knowles or who ever can answer my question:
 > This may be a dumb question, but is possible to do an
 > internally-uncontracted CI with MOLPRO?
 > Sincerely,
 > Amity Andersen
 > Dept. of Chemistry & Biochemistry, UCLA
 > Room: Young 3051
 > Phone: (310) 206-5931
 > email: andersen at chem.ucla.edu

Prof. Peter J. Knowles              
Email P.J.Knowles at bham.ac.uk  Phone +44-121-414-7472  Fax +44-121-414-7471
School of Chemistry, Univ. of Birmingham, Edgbaston, Birmingham, B15 2TT, UK.
WWW http://www.tc.bham.ac.uk/~peterk/

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