III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799246 |
difference | -0.2121888 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799246 |
difference | -0.2121888 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677357 |
correlated core | -399.0799246 |
difference | -0.2121890 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799246 |
difference | -0.2121888 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799246 |
difference | -0.2121888 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677357 |
correlated core | -399.0799246 |
difference | -0.2121890 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799244 |
difference | -0.2121885 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677358 |
correlated core | -399.0799244 |
difference | -0.2121885 |
Energy (hartrees) | |
---|---|
frozen core | -398.8677357 |
correlated core | -399.0799244 |
difference | -0.2121887 |