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 | -691.9619713 |
correlated core | -692.1059235 |
difference | -0.1439522 |
Energy (hartrees) | |
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frozen core | -691.9615230 |
correlated core | -692.1054153 |
difference | -0.1438924 |
Energy (hartrees) | |
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frozen core | -691.9691253 |
correlated core | -692.1130220 |
difference | -0.1438967 |