III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381812 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381812 |
correlated core | -399.0384501 |
difference | -0.1002689 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384500 |
difference | -0.1002687 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381813 |
correlated core | -399.0384500 |
difference | -0.1002687 |
Energy (hartrees) | |
---|---|
frozen core | -398.9381812 |
correlated core | -399.0384500 |
difference | -0.1002688 |