III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -289.5061173 |
correlated core | -289.5174112 |
difference | -0.0112939 |
Energy (hartrees) | |
---|---|
frozen core | -289.5061173 |
correlated core | -289.5174113 |
difference | -0.0112940 |
Energy (hartrees) | |
---|---|
frozen core | -289.5061174 |
correlated core | -289.5174112 |
difference | -0.0112938 |
Energy (hartrees) | |
---|---|
frozen core | -289.5061174 |
correlated core | -289.5174113 |
difference | -0.0112939 |