III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -2051.4920621 |
correlated core | -2051.4925106 |
difference | -0.0004486 |
Energy (hartrees) | |
---|---|
frozen core | -2051.4920621 |
correlated core | -2051.4925106 |
difference | -0.0004486 |
Energy (hartrees) | |
---|---|
frozen core | -2051.4920621 |
correlated core | -2051.4925106 |
difference | -0.0004486 |
Energy (hartrees) | |
---|---|
frozen core | -2051.4920621 |
correlated core | -2051.4925106 |
difference | -0.0004486 |