III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |
Energy (hartrees) | |
---|---|
frozen core | -78.9029612 |
correlated core | -78.9403438 |
difference | -0.0373826 |