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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Calculated > Energy > Correlation > Full vs Frozen core energies | |
| 6-31G* | 6-31+G** | 6-311G* | 6-311G** | cc-pVTZ | aug-cc-pVDZ | aug-cc-pVTZ | ||
|---|---|---|---|---|---|---|---|---|
| Moller Plesset perturbation | MP2=FULL | -0.029454 | -0.112149 | -0.112985 | ||||
| MP3=FULL | -0.029114 | -0.043296 | ||||||
| Coupled Cluster | CCSD(T)=FULL | -0.029180 | -0.096517 | -0.016005 | -0.115561 | |||
| 6-31G* | 6-31+G** | 6-311G* | 6-311G** | cc-pVTZ | aug-cc-pVDZ | aug-cc-pVTZ |