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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 | -579.0552606 |
correlated core | -579.3038673 |
difference | -0.2486067 |
Energy (hartrees) | |
---|---|
frozen core | -579.0878929 |
correlated core | -579.3369393 |
difference | -0.2490463 |
Energy (hartrees) | |
---|---|
frozen core | -579.1163196 |
correlated core | -579.3658776 |
difference | -0.2495581 |
Energy (hartrees) | |
---|---|
frozen core | -579.0998303 |
correlated core | -579.3491056 |
difference | -0.2492752 |