III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040745 |
difference | -0.0307039 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040745 |
difference | -0.0307039 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040745 |
difference | -0.0307043 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040745 |
difference | -0.0307043 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040745 |
difference | -0.0307039 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040745 |
difference | -0.0307039 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040745 |
difference | -0.0307043 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040745 |
difference | -0.0307043 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040738 |
difference | -0.0307032 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733706 |
correlated core | -1209.5040738 |
difference | -0.0307032 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040738 |
difference | -0.0307037 |
Energy (hartrees) | |
---|---|
frozen core | -1209.4733702 |
correlated core | -1209.5040738 |
difference | -0.0307037 |