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 | -158.0202030 |
correlated core | -158.0917535 |
difference | -0.0715506 |
Energy (hartrees) | |
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frozen core | -158.0191294 |
correlated core | -158.0906937 |
difference | -0.0715643 |