III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -235.3632445 |
correlated core | -235.3663568 |
difference | -0.0031123 |
Energy (hartrees) | |
---|---|
frozen core | -235.3601451 |
correlated core | -235.3663568 |
difference | -0.0062117 |
Energy (hartrees) | |
---|---|
frozen core | -235.3632445 |
correlated core | -235.3663568 |
difference | -0.0031123 |
Energy (hartrees) | |
---|---|
frozen core | -235.3601451 |
correlated core | -235.3663568 |
difference | -0.0062117 |