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 | -580.3682094 |
correlated core | -580.3838243 |
difference | -0.0156148 |
Energy (hartrees) | |
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frozen core | -580.3693655 |
correlated core | -580.3849380 |
difference | -0.0155726 |
Energy (hartrees) | |
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frozen core | -580.3374506 |
correlated core | -580.3536845 |
difference | -0.0162340 |