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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 | -579.0531514 |
correlated core | -579.0665068 |
difference | -0.0133554 |
Energy (hartrees) | |
---|---|
frozen core | -579.0850509 |
correlated core | -579.0982805 |
difference | -0.0132296 |
Energy (hartrees) | |
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frozen core | -579.1119223 |
correlated core | -579.1251610 |
difference | -0.0132387 |
Energy (hartrees) | |
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frozen core | -579.0975375 |
correlated core | -579.1108203 |
difference | -0.0132828 |