All electron correlation ?

[Gutowski, Maciej S]

Tapas,

you may use 

CORE,n1,n2,....,record.file; 

with all n's set to zero. The number of n's is equal to the number if
irreducible representations.

Thanks, Maciek

-----Original Message-----
From: Tapas Kar [mailto:tapaskar at cc.usu.edu]
Sent: Friday, February 09, 2001 3:24 PM
To: molpro-user at tcpc3.bham.ac.uk
Subject: All electron correlation ?


Hi:
What is the key word to use all electrons ( i.e core +
valence) in MP2, ccsd(T) etc methods?
Thanks,
Tapas

------------------------------------------------
"We owe a lot to the Indians, who taught
 us how to count, without which no worthwhile
scientific discovery could have been made."
- Albert Einstein -
------------------------------------------------
Tapas Kar, Ph. D
Department of Chemistry & Biochemistry
Utah State University
Logan, UT 84322-0300

Tel: 435-797-7230
Fax: 435-797-3390
Email: tapaskar at cc.usu.edu
       tapas at risky3.chem.usu.edu