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 | -580.3855287 |
correlated core | -580.5019517 |
difference | -0.1164230 |
Energy (hartrees) | |
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frozen core | -580.3858212 |
correlated core | -580.5021944 |
difference | -0.1163733 |
Energy (hartrees) | |
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frozen core | -580.3482806 |
correlated core | -580.4652839 |
difference | -0.1170033 |