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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) | |
|---|---|
| frozen core | -612.4302379 |
| correlated core | -612.4434646 |
| difference | -0.0132267 |
| Energy (hartrees) | |
|---|---|
| frozen core | -612.4292031 |
| correlated core | -612.4424573 |
| difference | -0.0132542 |