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 | -254.9444406 |
correlated core | -254.9462839 |
difference | -0.0018433 |
Energy (hartrees) | |
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frozen core | -254.9514186 |
correlated core | -254.9531753 |
difference | -0.0017567 |
Energy (hartrees) | |
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frozen core | -254.9465080 |
correlated core | -254.9482967 |
difference | -0.0017887 |