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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 | -166.0532530 |
correlated core | -166.0634680 |
difference | -0.0102150 |
Energy (hartrees) | |
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frozen core | -166.0545413 |
correlated core | -166.0647166 |
difference | -0.0101753 |
Energy (hartrees) | |
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frozen core | -166.0473426 |
correlated core | -166.0585828 |
difference | -0.0112403 |