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 | -169.4449964 |
correlated core | -169.4895050 |
difference | -0.0445086 |
Energy (hartrees) | |
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frozen core | -169.4449962 |
correlated core | -169.5010704 |
difference | -0.0560742 |
Energy (hartrees) | |
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frozen core | -169.4388671 |
correlated core | -169.4949071 |
difference | -0.0560400 |