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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 | -169.3958625 |
correlated core | -169.4061891 |
difference | -0.0103266 |
Energy (hartrees) | |
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frozen core | -169.4069073 |
correlated core | -169.4172626 |
difference | -0.0103553 |
Energy (hartrees) | |
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frozen core | -169.4017010 |
correlated core | -169.4120366 |
difference | -0.0103356 |