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 | -577.9419688 |
correlated core | -577.9455868 |
difference | -0.0036180 |
Energy (hartrees) | |
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frozen core | -577.9429410 |
correlated core | -577.9465643 |
difference | -0.0036233 |
Energy (hartrees) | |
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frozen core | -577.8908590 |
correlated core | -577.8945275 |
difference | -0.0036685 |