III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.0654698 |
correlated core | -364.0738303 |
difference | -0.0083605 |
Energy (hartrees) | |
---|---|
frozen core | -364.0654697 |
correlated core | -364.0738303 |
difference | -0.0083606 |
Energy (hartrees) | |
---|---|
frozen core | -364.0654698 |
correlated core | -364.0738302 |
difference | -0.0083604 |
Energy (hartrees) | |
---|---|
frozen core | -364.0654697 |
correlated core | -364.0738302 |
difference | -0.0083605 |