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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) | |
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frozen core | -572.2347733 |
correlated core | -572.2406945 |
difference | -0.0059212 |
Energy (hartrees) | |
---|---|
frozen core | -572.2824089 |
correlated core | -572.2884154 |
difference | -0.0060066 |
Energy (hartrees) | |
---|---|
frozen core | -572.2867804 |
correlated core | -572.2926478 |
difference | -0.0058674 |
Energy (hartrees) | |
---|---|
frozen core | -572.2759473 |
correlated core | -572.2819309 |
difference | -0.0059836 |