All electron correlation ?

Gutowski, Maciej S maciej.gutowski at
Sat Feb 10 00:17:40 GMT 2001


you may use 


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]
Sent: Friday, February 09, 2001 3:24 PM
To: molpro-user at
Subject: All electron correlation ?

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

"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
       tapas at

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