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 | -166.0378394 |
correlated core | -166.0479640 |
difference | -0.0101246 |
Energy (hartrees) | |
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frozen core | -166.0389379 |
correlated core | -166.0490225 |
difference | -0.0100846 |
Energy (hartrees) | |
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frozen core | -166.0327588 |
correlated core | -166.0438740 |
difference | -0.0111152 |