III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -90.2094811 |
correlated core | -90.2117120 |
difference | -0.0022309 |
Energy (hartrees) | |
---|---|
frozen core | -90.2094811 |
correlated core | -90.2117120 |
difference | -0.0022309 |
Energy (hartrees) | |
---|---|
frozen core | -90.2097009 |
correlated core | -90.2117120 |
difference | -0.0020111 |