HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Implement test for trace of one- and two-body density matrices for all methods #98

Open haakoek opened 2 years ago

haakoek commented 2 years ago

For all methods, the trace of the one- and two-body density matrices should be $\text{tr}(\gamma) = \sum_p \gamma^pp = N$ and $\text{tr}(\Gamma) = \sum{pq} \Gamma^{pq}_{pq} = N(N-1)$.