III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -188.5988603 |
correlated core | -188.6089261 |
difference | -0.0100658 |
Energy (hartrees) | |
---|---|
frozen core | -188.5988603 |
correlated core | -188.6089260 |
difference | -0.0100658 |
Energy (hartrees) | |
---|---|
frozen core | -188.5988603 |
correlated core | -188.6089261 |
difference | -0.0100658 |
Energy (hartrees) | |
---|---|
frozen core | -188.5988603 |
correlated core | -188.6089260 |
difference | -0.0100658 |
Energy (hartrees) | |
---|---|
frozen core | -188.6006865 |
correlated core | -188.6107432 |
difference | -0.0100567 |
Energy (hartrees) | |
---|---|
frozen core | -188.6006865 |
correlated core | -188.6107432 |
difference | -0.0100567 |
Energy (hartrees) | |
---|---|
frozen core | -188.6006865 |
correlated core | -188.6107432 |
difference | -0.0100567 |
Energy (hartrees) | |
---|---|
frozen core | -188.6006865 |
correlated core | -188.6107432 |
difference | -0.0100567 |