III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -459.6711454 |
correlated core | -459.6814648 |
difference | -0.0103194 |
Energy (hartrees) | |
---|---|
frozen core | -459.6711454 |
correlated core | -459.6814648 |
difference | -0.0103194 |
Energy (hartrees) | |
---|---|
frozen core | -459.6711454 |
correlated core | -459.6814648 |
difference | -0.0103194 |
Energy (hartrees) | |
---|---|
frozen core | -459.6711454 |
correlated core | -459.6814648 |
difference | -0.0103194 |