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 | -38.7047061 |
correlated core | -38.7323934 |
difference | -0.0276873 |
Energy (hartrees) | |
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frozen core | -38.6998074 |
correlated core | -38.7276239 |
difference | -0.0278165 |