Function computing the two-body expectation values

HyQD / coupled-cluster

Upstream coupled cluster code

MIT License

3 stars 3 forks source link

Function computing the two-body expectation values #78

Closed Schoyen closed 3 years ago

Schoyen commented 3 years ago

Similar to the compute_one_body_expectation_value we want a compute_two_body_expectation_value for general two-body matrix elements. This requires the two-body density matrix for a given method in order to work (this is currently lacking in (at least) the CCSD-code).

Schoyen commented 3 years ago

Fixed in 66f58e9d542be93e8eaf6090491f0eb35c46330d.