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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 | -579.0638437 |
correlated core | -579.0805783 |
difference | -0.0167346 |
Energy (hartrees) | |
---|---|
frozen core | -579.0958743 |
correlated core | -579.1117648 |
difference | -0.0158905 |
Energy (hartrees) | |
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frozen core | -579.1238414 |
correlated core | -579.1401124 |
difference | -0.0162710 |
Energy (hartrees) | |
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frozen core | -579.1091989 |
correlated core | -579.1254010 |
difference | -0.0162022 |