III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -225.5721495 |
correlated core | -225.6656273 |
difference | -0.0934778 |
Energy (hartrees) | |
---|---|
frozen core | -225.5721495 |
correlated core | -225.6656273 |
difference | -0.0934778 |
Energy (hartrees) | |
---|---|
frozen core | -225.5721494 |
correlated core | -225.6656273 |
difference | -0.0934779 |
Energy (hartrees) | |
---|---|
frozen core | -225.5721495 |
correlated core | -225.6656273 |
difference | -0.0934778 |
Energy (hartrees) | |
---|---|
frozen core | -225.5721495 |
correlated core | -225.6656273 |
difference | -0.0934778 |
Energy (hartrees) | |
---|---|
frozen core | -225.5721494 |
correlated core | -225.6656273 |
difference | -0.0934779 |