III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -277.5690091 |
correlated core | -277.6105936 |
difference | -0.0415845 |
Energy (hartrees) | |
---|---|
frozen core | -277.5690424 |
correlated core | -277.6111538 |
difference | -0.0421115 |
Energy (hartrees) | |
---|---|
frozen core | -277.5959298 |
correlated core | -277.6111538 |
difference | -0.0152240 |