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 | -580.9325157 |
correlated core | -580.9348813 |
difference | -0.0023656 |
Energy (hartrees) | |
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frozen core | -580.9341848 |
correlated core | -580.9365568 |
difference | -0.0023720 |
Energy (hartrees) | |
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frozen core | -580.8837317 |
correlated core | -580.8861241 |
difference | -0.0023924 |