III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -136.5998104 |
correlated core | -136.6031618 |
difference | -0.0033514 |
Energy (hartrees) | |
---|---|
frozen core | -136.5998104 |
correlated core | -136.6031618 |
difference | -0.0033514 |
Energy (hartrees) | |
---|---|
frozen core | -136.5998104 |
correlated core | -136.6031618 |
difference | -0.0033514 |
Energy (hartrees) | |
---|---|
frozen core | -136.5998104 |
correlated core | -136.6031618 |
difference | -0.0033514 |