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 | -166.0537654 |
correlated core | -166.0639965 |
difference | -0.0102311 |
Energy (hartrees) | |
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frozen core | -166.0550068 |
correlated core | -166.0652008 |
difference | -0.0101941 |
Energy (hartrees) | |
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frozen core | -166.0477688 |
correlated core | -166.0590206 |
difference | -0.0112518 |