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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 | -579.7808663 |
correlated core | -579.7861554 |
difference | -0.0052891 |
Energy (hartrees) | |
---|---|
frozen core | -579.8143732 |
correlated core | -579.8193672 |
difference | -0.0049939 |
Energy (hartrees) | |
---|---|
frozen core | -579.8429490 |
correlated core | -579.8480462 |
difference | -0.0050971 |
Energy (hartrees) | |
---|---|
frozen core | -579.8275248 |
correlated core | -579.8326240 |
difference | -0.0050992 |