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 | -169.4024319 |
correlated core | -169.4094693 |
difference | -0.0070374 |
Energy (hartrees) | |
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frozen core | -169.4126722 |
correlated core | -169.4197233 |
difference | -0.0070511 |
Energy (hartrees) | |
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frozen core | -169.4080789 |
correlated core | -169.4151157 |
difference | -0.0070368 |