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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) 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* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | TZVP | cc-pVTZ | cc-pV(T+d)Z | cc-pCVTZ | ||
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Moller Plesset perturbation | MP2=FULL | -0.025077 | -0.025393 | -0.027148 | -0.195814 | -0.196047 | -0.098675 | -0.091902 | -0.155453 | -0.381191 |
MP3=FULL | -0.023802 | -0.047990 | ||||||||
MP4=FULL | -0.384749 | |||||||||
Coupled Cluster | CCSD=FULL | -0.154504 | ||||||||
CCSD(T)=FULL | -0.023921 | -0.100284 | -0.383907 | |||||||
6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | TZVP | cc-pVTZ | cc-pV(T+d)Z | cc-pCVTZ |