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 | -685.2662967 |
correlated core | -685.3105263 |
difference | -0.0442296 |
Energy (hartrees) | |
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frozen core | -685.2665356 |
correlated core | -685.3107552 |
difference | -0.0442196 |