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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 | -169.5941190 |
correlated core | -169.6435261 |
difference | -0.0494071 |
Energy (hartrees) | |
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frozen core | -169.6025715 |
correlated core | -169.6519746 |
difference | -0.0494031 |
Energy (hartrees) | |
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frozen core | -169.5968694 |
correlated core | -169.6462736 |
difference | -0.0494043 |