III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -322.8313171 |
correlated core | -322.8338769 |
difference | -0.0025599 |
Energy (hartrees) | |
---|---|
frozen core | -322.8313171 |
correlated core | -322.8338769 |
difference | -0.0025599 |
Energy (hartrees) | |
---|---|
frozen core | -322.8313171 |
correlated core | -322.8338769 |
difference | -0.0025599 |
Energy (hartrees) | |
---|---|
frozen core | -322.8313171 |
correlated core | -322.8338769 |
difference | -0.0025599 |