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 | -166.0597078 |
correlated core | -166.0703511 |
difference | -0.0106433 |
Energy (hartrees) | |
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frozen core | -166.0607874 |
correlated core | -166.0713974 |
difference | -0.0106100 |