III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -459.7539064 |
correlated core | -459.7639548 |
difference | -0.0100483 |
Energy (hartrees) | |
---|---|
frozen core | -459.7539064 |
correlated core | -459.7639548 |
difference | -0.0100483 |
Energy (hartrees) | |
---|---|
frozen core | -459.7539064 |
correlated core | -459.7639548 |
difference | -0.0100483 |
Energy (hartrees) | |
---|---|
frozen core | -459.7539064 |
correlated core | -459.7639548 |
difference | -0.0100483 |