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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 | -580.3244829 |
correlated core | -580.3411526 |
difference | -0.0166697 |
Energy (hartrees) | |
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frozen core | -580.3249950 |
correlated core | -580.3416480 |
difference | -0.0166530 |
Energy (hartrees) | |
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frozen core | -580.2885678 |
correlated core | -580.3058214 |
difference | -0.0172535 |