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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 | -580.3259181 |
correlated core | -580.3431850 |
difference | -0.0172669 |
Energy (hartrees) | |
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frozen core | -580.3264232 |
correlated core | -580.3437304 |
difference | -0.0173072 |
Energy (hartrees) | |
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frozen core | -580.2900262 |
correlated core | -580.3079953 |
difference | -0.0179690 |