III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |
Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |
Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |
Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |
Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |
Energy (hartrees) | |
---|---|
frozen core | -2382.9641479 |
correlated core | -2383.4236335 |
difference | -0.4594856 |