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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 | -579.1062168 |
correlated core | -579.1215405 |
difference | -0.0153237 |
Energy (hartrees) | |
---|---|
frozen core | -579.1427691 |
correlated core | -579.1572809 |
difference | -0.0145119 |
Energy (hartrees) | |
---|---|
frozen core | -579.1691085 |
correlated core | -579.1839880 |
difference | -0.0148795 |
Energy (hartrees) | |
---|---|
frozen core | -579.1534953 |
correlated core | -579.1683731 |
difference | -0.0148778 |