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 | -579.7803540 |
correlated core | -579.7854076 |
difference | -0.0050536 |
Energy (hartrees) | |
---|---|
frozen core | -579.8138693 |
correlated core | -579.8186795 |
difference | -0.0048102 |
Energy (hartrees) | |
---|---|
frozen core | -579.8424341 |
correlated core | -579.8472997 |
difference | -0.0048656 |
Energy (hartrees) | |
---|---|
frozen core | -579.8269476 |
correlated core | -579.8318412 |
difference | -0.0048936 |