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 | -169.1369705 |
correlated core | -169.1404737 |
difference | -0.0035032 |
Energy (hartrees) | |
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frozen core | -169.1496862 |
correlated core | -169.1531896 |
difference | -0.0035034 |
Energy (hartrees) | |
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frozen core | -169.1443676 |
correlated core | -169.1478590 |
difference | -0.0034914 |