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 | -580.4398042 |
correlated core | -580.5582678 |
difference | -0.1184636 |
Energy (hartrees) | |
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frozen core | -580.4411100 |
correlated core | -580.5594353 |
difference | -0.1183253 |
Energy (hartrees) | |
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frozen core | -580.4052782 |
correlated core | -580.5241649 |
difference | -0.1188868 |