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 | -579.8117208 |
correlated core | -579.8472647 |
difference | -0.0355439 |
Energy (hartrees) | |
---|---|
frozen core | -579.8440049 |
correlated core | -579.8785695 |
difference | -0.0345646 |
Energy (hartrees) | |
---|---|
frozen core | -579.8738106 |
correlated core | -579.9087035 |
difference | -0.0348929 |
Energy (hartrees) | |
---|---|
frozen core | -579.8580511 |
correlated core | -579.8929355 |
difference | -0.0348844 |