III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1921.2301293 |
correlated core | -1921.2541681 |
difference | -0.0240388 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2301293 |
correlated core | -1921.2541681 |
difference | -0.0240388 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2301293 |
correlated core | -1921.2541681 |
difference | -0.0240388 |
Energy (hartrees) | |
---|---|
frozen core | -1921.2301293 |
correlated core | -1921.2541681 |
difference | -0.0240388 |