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 | -952.9186501 |
correlated core | -952.9289063 |
difference | -0.0102563 |
Energy (hartrees) | |
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frozen core | -952.9215982 |
correlated core | -952.9318341 |
difference | -0.0102359 |