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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 | -579.1661593 |
correlated core | -579.2996063 |
difference | -0.1334470 |
Energy (hartrees) | |
---|---|
frozen core | -579.2002051 |
correlated core | -579.3263203 |
difference | -0.1261151 |
Energy (hartrees) | |
---|---|
frozen core | -579.2279985 |
correlated core | -579.3569811 |
difference | -0.1289826 |
Energy (hartrees) | |
---|---|
frozen core | -579.2121832 |
correlated core | -579.3405418 |
difference | -0.1283586 |