III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -397.8330559 |
correlated core | -397.8451434 |
difference | -0.0120875 |
Energy (hartrees) | |
---|---|
frozen core | -397.8345156 |
correlated core | -397.8451434 |
difference | -0.0106278 |
Energy (hartrees) | |
---|---|
frozen core | -397.8330559 |
correlated core | -397.8451434 |
difference | -0.0120875 |
Energy (hartrees) | |
---|---|
frozen core | -397.8345156 |
correlated core | -397.8451434 |
difference | -0.0106278 |