III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2719.8404022 |
correlated core | -2719.9102675 |
difference | -0.0698653 |
Energy (hartrees) | |
---|---|
frozen core | -2719.8767725 |
correlated core | -2719.9102675 |
difference | -0.0334950 |
Energy (hartrees) | |
---|---|
frozen core | -2719.8404022 |
correlated core | -2719.9102675 |
difference | -0.0698653 |
Energy (hartrees) | |
---|---|
frozen core | -2719.8767725 |
correlated core | -2719.9102675 |
difference | -0.0334950 |