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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 | -579.0926619 |
correlated core | -579.1081586 |
difference | -0.0154967 |
Energy (hartrees) | |
---|---|
frozen core | -579.1278513 |
correlated core | -579.1423610 |
difference | -0.0145096 |
Energy (hartrees) | |
---|---|
frozen core | -579.1587965 |
correlated core | -579.1739139 |
difference | -0.0151174 |
Energy (hartrees) | |
---|---|
frozen core | -579.1411017 |
correlated core | -579.1561151 |
difference | -0.0150134 |