Thursday Nov. 12 and Monday Nov. 16

On Thursday Nov. 12 we derived a form of Wick's Theorem for commutators of normal-ordered operators with a cluster operator. We used this to show the connected-cluster form of the coupled-cluster energy, which we derived in some detail.

On Monday Nov. 16, we will continue, deriving the CCSD amplitude equations in some detail.

The lecture notes have not been updated due to time constraints. However, the CC part of the course relies only on the article by Crawford and Schaefer, which I have handed out electronically. If you have not gotten the article, please notify me ASAP, and you will get it.

The connected-cluster form of the commutator that I derived is not done in detail in Crawford and Scaefer, but I will include it in the notes pretty soon.

 

Published Nov. 16, 2015 1:13 PM