V2RDM_CASSCF¶
Input File |
Description |
---|---|
H3 / cc-pvdz / D+D3 vs full CI, scf_type = PK |
|
cc-pvdz N2 (6,6) active space Test DQG |
|
cc-pvdz N2 (6,6) active space Test DQG |
|
v2rdm_casscf 1,4-phenylenedinitrene/(10,10)/cc-pVDZ |
|
STO-3g benzene (6,6) guess orbital rotation test DQG |
|
cc-pvdz N2 (6,6) active space Test DQG |
|
cc-pvdz N2 (6,6) active space Test DQG |