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 | -169.4987341 |
correlated core | -169.5517467 |
difference | -0.0530127 |
Energy (hartrees) | |
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frozen core | -169.5082743 |
correlated core | -169.5613109 |
difference | -0.0530366 |
Energy (hartrees) | |
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frozen core | -169.5020933 |
correlated core | -169.5550892 |
difference | -0.0529960 |