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 | -169.4832777 |
correlated core | -169.5345970 |
difference | -0.0513193 |
Energy (hartrees) | |
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frozen core | -169.4931810 |
correlated core | -169.5445223 |
difference | -0.0513413 |
Energy (hartrees) | |
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frozen core | -169.4868114 |
correlated core | -169.5381144 |
difference | -0.0513029 |