III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -89.2881932 |
correlated core | -89.2949266 |
difference | -0.0067333 |
Energy (hartrees) | |
---|---|
frozen core | -89.2881932 |
correlated core | -89.2949266 |
difference | -0.0067333 |
Energy (hartrees) | |
---|---|
frozen core | -89.2881932 |
correlated core | -89.2949266 |
difference | -0.0067333 |
Energy (hartrees) | |
---|---|
frozen core | -89.2881932 |
correlated core | -89.2949266 |
difference | -0.0067333 |