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 | -692.4608704 |
correlated core | -692.4632216 |
difference | -0.0023513 |
Energy (hartrees) | |
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frozen core | -692.4605452 |
correlated core | -692.4628765 |
difference | -0.0023313 |
Energy (hartrees) | |
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frozen core | -692.4684968 |
correlated core | -692.4708299 |
difference | -0.0023331 |