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 | -169.3805492 |
correlated core | -169.3907216 |
difference | -0.0101724 |
Energy (hartrees) | |
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frozen core | -169.3914585 |
correlated core | -169.4016600 |
difference | -0.0102015 |
Energy (hartrees) | |
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frozen core | -169.3859610 |
correlated core | -169.3961446 |
difference | -0.0101836 |