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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 | -2611.8706986 |
correlated core | -2611.9286388 |
difference | -0.0579402 |
Energy (hartrees) | |
---|---|
frozen core | -2611.8706987 |
correlated core | -2611.9286386 |
difference | -0.0579399 |