III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -148.2987895 |
correlated core | -148.3105946 |
difference | -0.0118050 |
Energy (hartrees) | |
---|---|
frozen core | -148.2987888 |
correlated core | -148.3105946 |
difference | -0.0118058 |
Energy (hartrees) | |
---|---|
frozen core | -148.2987888 |
correlated core | -148.3105946 |
difference | -0.0118058 |
Energy (hartrees) | |
---|---|
frozen core | -148.2987895 |
correlated core | -148.3105932 |
difference | -0.0118036 |
Energy (hartrees) | |
---|---|
frozen core | -148.2987888 |
correlated core | -148.3105932 |
difference | -0.0118044 |
Energy (hartrees) | |
---|---|
frozen core | -148.2987888 |
correlated core | -148.3105932 |
difference | -0.0118044 |