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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 | -579.8137836 |
correlated core | -579.8523481 |
difference | -0.0385645 |
Energy (hartrees) | |
---|---|
frozen core | -579.8458859 |
correlated core | -579.8824551 |
difference | -0.0365692 |
Energy (hartrees) | |
---|---|
frozen core | -579.8759649 |
correlated core | -579.9133179 |
difference | -0.0373529 |
Energy (hartrees) | |
---|---|
frozen core | -579.8600532 |
correlated core | -579.8972938 |
difference | -0.0372406 |