III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0705477 |
correlated core | -26.0720928 |
difference | -0.0015451 |
Energy (hartrees) | |
---|---|
frozen core | -26.0705477 |
correlated core | -26.0720928 |
difference | -0.0015451 |
Energy (hartrees) | |
---|---|
frozen core | -26.0705478 |
correlated core | -26.0720928 |
difference | -0.0015450 |
Energy (hartrees) | |
---|---|
frozen core | -26.0705478 |
correlated core | -26.0720928 |
difference | -0.0015450 |
Energy (hartrees) | |
---|---|
frozen core | -26.0705478 |
correlated core | -26.0720928 |
difference | -0.0015450 |
Energy (hartrees) | |
---|---|
frozen core | -26.0705478 |
correlated core | -26.0720928 |
difference | -0.0015450 |
Energy (hartrees) | |
---|---|
frozen core | -26.0651868 |
correlated core | -26.0666465 |
difference | -0.0014597 |