III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -75.8565649 |
correlated core | -75.8696767 |
difference | -0.0131118 |
Energy (hartrees) | |
---|---|
frozen core | -75.8565649 |
correlated core | -75.8696767 |
difference | -0.0131118 |
Energy (hartrees) | |
---|---|
frozen core | -75.8565649 |
correlated core | -75.8696767 |
difference | -0.0131118 |
Energy (hartrees) | |
---|---|
frozen core | -75.8565649 |
correlated core | -75.8696767 |
difference | -0.0131118 |