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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 | -580.4396372 |
correlated core | -580.5580400 |
difference | -0.1184028 |
Energy (hartrees) | |
---|---|
frozen core | -580.4408912 |
correlated core | -580.5591582 |
difference | -0.1182671 |
Energy (hartrees) | |
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frozen core | -580.4050589 |
correlated core | -580.5238832 |
difference | -0.1188243 |