Oct 062013
 

An impressive paper by the Neese group appeared in the Journal of Chemical Physics. This group reports the first coupled cluster computation of a small protein using the CCSD(T) method using domain based local pair-natural orbital. There is also a article in physics today that summarizes this paper.
In my opinion, as far as one is concerned only about the ground state, this paper reinforces the idea that achieving linear scaling is more effective that trying to develop a massively parallel implementation of the canonical CC equations.

 October 6, 2013  Article review

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