III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -342.8946299 |
correlated core | -342.9070756 |
difference | -0.0124457 |
Energy (hartrees) | |
---|---|
frozen core | -342.8946299 |
correlated core | -342.9070756 |
difference | -0.0124457 |
Energy (hartrees) | |
---|---|
frozen core | -342.8946299 |
correlated core | -342.9070756 |
difference | -0.0124456 |
Energy (hartrees) | |
---|---|
frozen core | -342.8946299 |
correlated core | -342.9070756 |
difference | -0.0124456 |