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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 | -579.0348599 |
correlated core | -579.2829194 |
difference | -0.2480594 |
Energy (hartrees) | |
---|---|
frozen core | -579.0670269 |
correlated core | -579.3156198 |
difference | -0.2485929 |
Energy (hartrees) | |
---|---|
frozen core | -579.0860208 |
correlated core | -579.3350188 |
difference | -0.2489980 |
Energy (hartrees) | |
---|---|
frozen core | -579.0739566 |
correlated core | -579.3227235 |
difference | -0.2487669 |