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 | -722.4623221 |
correlated core | -722.4669381 |
difference | -0.0046160 |
Energy (hartrees) | |
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frozen core | -722.4650919 |
correlated core | -722.4693522 |
difference | -0.0042604 |