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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 |
Energy (hartrees) | |
---|---|
frozen core | -579.7314078 |
correlated core | -579.7381407 |
difference | -0.0067329 |
Energy (hartrees) | |
---|---|
frozen core | -579.7662717 |
correlated core | -579.7730026 |
difference | -0.0067309 |
Energy (hartrees) | |
---|---|
frozen core | -579.7888515 |
correlated core | -579.7956567 |
difference | -0.0068052 |
Energy (hartrees) | |
---|---|
frozen core | -579.7751796 |
correlated core | -579.7819834 |
difference | -0.0068038 |