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 | -573.5053021 |
correlated core | -573.5117812 |
difference | -0.0064790 |
Energy (hartrees) | |
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frozen core | -573.5153389 |
correlated core | -573.5218778 |
difference | -0.0065388 |
Energy (hartrees) | |
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frozen core | -573.4536869 |
correlated core | -573.4598782 |
difference | -0.0061913 |