All electron correlation ?

Tapas Kar tapaskar at cc.usu.edu
Fri Feb 9 23:24:03 GMT 2001


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 -
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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





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