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 | -576.6950940 |
correlated core | -576.6987535 |
difference | -0.0036596 |
Energy (hartrees) | |
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frozen core | -576.7253142 |
correlated core | -576.7289949 |
difference | -0.0036807 |
Energy (hartrees) | |
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frozen core | -576.7233878 |
correlated core | -576.7270611 |
difference | -0.0036733 |
Energy (hartrees) | |
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frozen core | -576.7240227 |
correlated core | -576.7277038 |
difference | -0.0036811 |