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 | -579.0316153 |
correlated core | -579.0526761 |
difference | -0.0210608 |
Energy (hartrees) | |
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frozen core | -579.0695418 |
correlated core | -579.0903484 |
difference | -0.0208066 |
Energy (hartrees) | |
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frozen core | -579.0859964 |
correlated core | -579.1071768 |
difference | -0.0211804 |
Energy (hartrees) | |
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frozen core | -579.0737860 |
correlated core | -579.0949737 |
difference | -0.0211877 |