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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 | -572.9587606 |
correlated core | -572.9607463 |
difference | -0.0019858 |
Energy (hartrees) | |
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frozen core | -573.0134939 |
correlated core | -573.0154932 |
difference | -0.0019993 |
Energy (hartrees) | |
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frozen core | -573.0267265 |
correlated core | -573.0286618 |
difference | -0.0019352 |
Energy (hartrees) | |
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frozen core | -573.0110458 |
correlated core | -573.0130333 |
difference | -0.0019875 |