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 | -254.3325669 |
correlated core | -254.3368931 |
difference | -0.0043263 |
Energy (hartrees) | |
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frozen core | -254.3289399 |
correlated core | -254.3328820 |
difference | -0.0039421 |
Energy (hartrees) | |
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frozen core | -254.3270920 |
correlated core | -254.3312890 |
difference | -0.0041970 |