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 | -169.4230917 |
correlated core | -169.4294917 |
difference | -0.0064000 |
Energy (hartrees) | |
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frozen core | -169.4328844 |
correlated core | -169.4392993 |
difference | -0.0064149 |
Energy (hartrees) | |
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frozen core | -169.4283909 |
correlated core | -169.4347901 |
difference | -0.0063992 |