III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |
Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |
Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |
Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |
Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |
Energy (hartrees) | |
---|---|
frozen core | -199.6175974 |
correlated core | -199.6240738 |
difference | -0.0064764 |