III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -515.3375618 |
correlated core | -515.3508238 |
difference | -0.0132620 |
Energy (hartrees) | |
---|---|
frozen core | -515.3375613 |
correlated core | -515.3508238 |
difference | -0.0132625 |
Energy (hartrees) | |
---|---|
frozen core | -515.3375618 |
correlated core | -515.3508238 |
difference | -0.0132620 |
Energy (hartrees) | |
---|---|
frozen core | -515.3375618 |
correlated core | -515.3508238 |
difference | -0.0132620 |
Energy (hartrees) | |
---|---|
frozen core | -515.3375613 |
correlated core | -515.3508238 |
difference | -0.0132625 |
Energy (hartrees) | |
---|---|
frozen core | -515.3375618 |
correlated core | -515.3508238 |
difference | -0.0132620 |