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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 | -579.1607297 |
correlated core | -579.2798215 |
difference | -0.1190917 |
Energy (hartrees) | |
---|---|
frozen core | -579.1942425 |
correlated core | -579.3098064 |
difference | -0.1155639 |
Energy (hartrees) | |
---|---|
frozen core | -579.2223060 |
correlated core | -579.3392281 |
difference | -0.1169221 |
Energy (hartrees) | |
---|---|
frozen core | -579.2064540 |
correlated core | -579.3232852 |
difference | -0.1168312 |