III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0193062 |
correlated core | -39.0236981 |
difference | -0.0043918 |
Energy (hartrees) | |
---|---|
frozen core | -39.0193062 |
correlated core | -39.0236981 |
difference | -0.0043918 |
Energy (hartrees) | |
---|---|
frozen core | -39.0193062 |
correlated core | -39.0236981 |
difference | -0.0043918 |
Energy (hartrees) | |
---|---|
frozen core | -39.0193062 |
correlated core | -39.0236981 |
difference | -0.0043918 |
Energy (hartrees) | |
---|---|
frozen core | -39.0062132 |
correlated core | -39.0106400 |
difference | -0.0044268 |