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 | -580.2812358 |
correlated core | -580.5288551 |
difference | -0.2476193 |
Energy (hartrees) | |
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frozen core | -580.2828684 |
correlated core | -580.5306073 |
difference | -0.2477389 |
Energy (hartrees) | |
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frozen core | -580.2359783 |
correlated core | -580.4844429 |
difference | -0.2484645 |