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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) | |
---|---|
frozen core | -578.8983872 |
correlated core | -578.9060335 |
difference | -0.0076464 |
Energy (hartrees) | |
---|---|
frozen core | -578.9305866 |
correlated core | -578.9381975 |
difference | -0.0076109 |
Energy (hartrees) | |
---|---|
frozen core | -578.9269335 |
correlated core | -578.9345299 |
difference | -0.0075964 |
Energy (hartrees) | |
---|---|
frozen core | -578.9271179 |
correlated core | -578.9347510 |
difference | -0.0076331 |