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 | -255.0010009 |
correlated core | -255.0153861 |
difference | -0.0143852 |
Energy (hartrees) | |
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frozen core | -255.0043029 |
correlated core | -255.0180429 |
difference | -0.0137400 |
Energy (hartrees) | |
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frozen core | -255.0010272 |
correlated core | -255.0153738 |
difference | -0.0143466 |