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 | -254.5674169 |
correlated core | -254.6148162 |
difference | -0.0473993 |
Energy (hartrees) | |
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frozen core | -254.5703970 |
correlated core | -254.6155858 |
difference | -0.0451887 |
Energy (hartrees) | |
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frozen core | -254.5659760 |
correlated core | -254.6133048 |
difference | -0.0473287 |