Implement FCI, CCSD, and NOCCD consistency test.

HyQD / coupled-cluster

Upstream coupled cluster code

MIT License

3 stars 3 forks source link

Implement FCI, CCSD, and NOCCD consistency test. #100

Open haakoek opened 2 years ago

haakoek commented 2 years ago

For a two-particle system, (TD)CCSD and (TD)NOCCD/OA(TD)CCD should be equivalent, within a reasonable numerical threshold, to (TD)FCI. Also, if I remember correctly, CCD is exact for the pairing model with N=2, and should therefore be equivalent to FCI/CID.