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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 | -574.2671038 |
correlated core | -574.2692599 |
difference | -0.0021562 |
Energy (hartrees) | |
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frozen core | -574.2784818 |
correlated core | -574.2806504 |
difference | -0.0021686 |
Energy (hartrees) | |
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frozen core | -574.2184709 |
correlated core | -574.2205015 |
difference | -0.0020306 |