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 | -579.1162324 |
correlated core | -579.2336488 |
difference | -0.1174164 |
Energy (hartrees) | |
---|---|
frozen core | -579.1460588 |
correlated core | -579.2603212 |
difference | -0.1142624 |
Energy (hartrees) | |
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frozen core | -579.1762623 |
correlated core | -579.2916244 |
difference | -0.1153621 |
Energy (hartrees) | |
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frozen core | -579.1608521 |
correlated core | -579.2761097 |
difference | -0.1152576 |