HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Locate t error #3

Closed Schoyen closed 5 years ago

Schoyen commented 5 years ago

The error was located in diagram D8a from Shavitt & Bartlett. Shavitt & Bartlett give the opposite sign for this contraction as opposed to Gauss & Stanton and SymPy. We chose to go with the sign used in the expression from the latter two. This fixes #2.