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 | -243.7431019 |
correlated core | -243.8136635 |
difference | -0.0705615 |
Energy (hartrees) | |
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frozen core | -243.7485009 |
correlated core | -243.8184149 |
difference | -0.0699140 |