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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 | -166.0455512 |
correlated core | -166.0556482 |
difference | -0.0100970 |
Energy (hartrees) | |
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frozen core | -166.0467744 |
correlated core | -166.0568293 |
difference | -0.0100549 |
Energy (hartrees) | |
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frozen core | -166.0400211 |
correlated core | -166.0511292 |
difference | -0.0111081 |