III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -2125.7129352 |
correlated core | -2125.7143930 |
difference | -0.0014578 |
Energy (hartrees) | |
---|---|
frozen core | -2125.7129353 |
correlated core | -2125.7143930 |
difference | -0.0014577 |
Energy (hartrees) | |
---|---|
frozen core | -2125.7129352 |
correlated core | -2125.7143931 |
difference | -0.0014579 |
Energy (hartrees) | |
---|---|
frozen core | -2125.7129353 |
correlated core | -2125.7143931 |
difference | -0.0014578 |