Molecule catalog
Every molecule in the catalog, each with a ready FCIDUMP. Click a row to start a request for it.
| Formula | Atoms | Entry | DFT energy (eV) | Hartree–Fock (Ha) | FCIDUMP |
|---|
Every molecule in the catalog, each with a ready FCIDUMP. Click a row to start a request for it.
| Formula | Atoms | Entry | DFT energy (eV) | Hartree–Fock (Ha) | FCIDUMP |
|---|