III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -399.2361588 |
correlated core | -399.0994233 |
difference | 0.1367355 |
Energy (hartrees) | |
---|---|
frozen core | -399.2361588 |
correlated core | -399.0994233 |
difference | 0.1367355 |
Energy (hartrees) | |
---|---|
frozen core | -399.2361588 |
correlated core | -399.0994233 |
difference | 0.1367355 |
Energy (hartrees) | |
---|---|
frozen core | -399.2361588 |
correlated core | -399.0994233 |
difference | 0.1367355 |