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 | -579.1323952 |
correlated core | -579.4581532 |
difference | -0.3257580 |
Energy (hartrees) | |
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frozen core | -579.1646806 |
correlated core | -579.4905790 |
difference | -0.3258984 |
Energy (hartrees) | |
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frozen core | -579.1964321 |
correlated core | -579.5241724 |
difference | -0.3277403 |
Energy (hartrees) | |
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frozen core | -579.1788433 |
correlated core | -579.5060006 |
difference | -0.3271573 |