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 | -1592.1712078 |
correlated core | -1592.3101833 |
difference | -0.1389755 |
Energy (hartrees) | |
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frozen core | -1592.2143415 |
correlated core | -1592.3533888 |
difference | -0.1390472 |
Energy (hartrees) | |
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frozen core | -1592.2143416 |
correlated core | -1592.3533888 |
difference | -0.1390473 |