III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -503.5226373 |
correlated core | -503.5232456 |
difference | -0.0006083 |
Energy (hartrees) | |
---|---|
frozen core | -503.5226372 |
correlated core | -503.5232456 |
difference | -0.0006083 |
Energy (hartrees) | |
---|---|
frozen core | -503.5226373 |
correlated core | -503.5232456 |
difference | -0.0006083 |
Energy (hartrees) | |
---|---|
frozen core | -503.5226372 |
correlated core | -503.5232456 |
difference | -0.0006083 |