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 | -579.0198234 |
correlated core | -579.0401545 |
difference | -0.0203311 |
Energy (hartrees) | |
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frozen core | -579.0556967 |
correlated core | -579.0757553 |
difference | -0.0200587 |
Energy (hartrees) | |
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frozen core | -579.0774033 |
correlated core | -579.0979792 |
difference | -0.0205759 |
Energy (hartrees) | |
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frozen core | -579.0628995 |
correlated core | -579.0834207 |
difference | -0.0205212 |