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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 | -580.4109033 |
correlated core | -580.5032074 |
difference | -0.0923042 |
Energy (hartrees) | |
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frozen core | -580.4110680 |
correlated core | -580.5033349 |
difference | -0.0922669 |
Energy (hartrees) | |
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frozen core | -580.3719231 |
correlated core | -580.4641101 |
difference | -0.0921870 |