Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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semi-empirical | AM1 | c1ov c3ov |
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PM3 | c1ov c3ov c4ov | |
composite | G1 | c2e c3e c4e |
G2MP2 | c2e c3e c4e | |
G2 | c2e c3e c4e | |
G3 | c2e c3e c4e | |
G3B3 | c1e c2e c3e c4e | |
G4 | c1e c2e c3e c4e | |
CBS-Q | c2e c3e c4e |
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | daug-cc-pVDZ | daug-cc-pVTZ | ||
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hartree fock | HF | c1o c2o c3ov | c1o c2o c3ov | c1o c2o c3ov c4ov | c1o c2o c3ov | c1o c2o c3ov c4o | c1o c2o c3ov c4o | c1o c2o c3ov c4o | c1o c2o c3ov c4o | c1o c2o c3ov c4o | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4o | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov | c1o c2o c3ov c4ov |
density functional | BLYP | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | ||
B1B95 | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
B3LYP | c1o c2ov c3ov c4o | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |
B3LYPultrafine | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||||
B3PW91 | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
mPW1PW91 | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
M06-2X | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
PBEPBE | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
PBEPBEultrafine | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||||
PBE1PBE | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
HSEh1PBE | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
TPSSh | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |
wB97X-D | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |
B97D3 | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | daug-cc-pVDZ | daug-cc-pVTZ | ||
Moller Plesset perturbation | MP2 | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov |
MP2=FULL | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |
B2PLYP | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
B2PLYP=FULL | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
B2PLYP=FULLultrafine | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov | |||
Configuration interaction | CID | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | ||||||||||
CISD | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | daug-cc-pVDZ | daug-cc-pVTZ | ||
Quadratic configuration interaction | QCISD | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | |||
QCISD(T) | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||||||||
QCISD(T)=FULL | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | ||||||||||
Coupled Cluster | CCD | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
CCSD | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||
CCSD=FULL | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||||||
CCSD(T) | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2o c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4o | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||||
CCSD(T)=FULL | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | c1o c3o c4ov | c1o c2o c3ov c4ov | c1o c2ov c3ov c4ov | ||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | daug-cc-pVDZ | daug-cc-pVTZ |
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | c1o c2o c3ov | c1o c2o c3ov c4ov | c1o c2o c3ov | c1o c2o c3ov c4o | c1o c2ov c3ov | c1o c2o c3ov | c1o c2o c3ov c4ov | ||
density functional | BLYP | c1o c2ov c3ov c4ov | ||||||||
B1B95 | c1o c2ov c3ov c4ov | |||||||||
B3LYP | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | |||
B3LYPultrafine | c1o c2ov c3ov c4ov | |||||||||
B3PW91 | c1o c2ov c3ov c4ov | |||||||||
mPW1PW91 | c1o c2ov c3ov c4ov | |||||||||
M06-2X | c1o c2ov c3ov c4ov | |||||||||
PBEPBE | c1o c2ov c3ov c4ov | |||||||||
PBEPBEultrafine | c1o c2ov c3ov c4ov | |||||||||
PBE1PBE | c1o c2ov c3ov c4ov | |||||||||
HSEh1PBE | c1o c2ov c3ov c4ov | |||||||||
TPSSh | c1o c2ov c3ov c4ov | |||||||||
wB97X-D | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov | c1o c2ov c3ov | c1o c2ov c3ov c4ov | |||
B97D3 | c1o c2ov c3ov c4ov | |||||||||
Moller Plesset perturbation | MP2 | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | c1o c2ov c3ov c4ov | ||
MP2=FULL | c1o c2ov c3ov c4ov | |||||||||
B2PLYP | c1o c2ov c3ov c4ov | |||||||||
B2PLYP=FULL | c1o c2ov c3ov c4ov | |||||||||
B2PLYP=FULLultrafine | c1o c2ov c3ov | |||||||||
Configuration interaction | CID | c1o c2ov c3ov c4ov | ||||||||
CISD | c1o c2ov c3ov c4ov | |||||||||
Quadratic configuration interaction | QCISD | c1o c2ov c3ov c4ov | ||||||||
QCISD(T) | c1o c2ov c3ov c4ov | |||||||||
QCISD(T)=FULL | c1o c2o c3ov c4ov | |||||||||
Coupled Cluster | CCD | c1o c2ov c3ov c4ov | ||||||||
CCSD | c1o c2ov c3ov c4ov | |||||||||
CCSD=FULL | c1o c2ov c3ov c4ov | |||||||||
CCSD(T) | c1o c2ov c3ov c4ov | |||||||||
CCSD(T)=FULL | c1o c2ov c3ov c4ov |