III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -25.1916478 |
correlated core | -25.2082622 |
difference | -0.0166144 |
Energy (hartrees) | |
---|---|
frozen core | -25.1916478 |
correlated core | -25.2082622 |
difference | -0.0166145 |
Energy (hartrees) | |
---|---|
frozen core | -25.1916479 |
correlated core | -25.2082622 |
difference | -0.0166143 |
Energy (hartrees) | |
---|---|
frozen core | -25.1916479 |
correlated core | -25.2082622 |
difference | -0.0166144 |