III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9022670 |
correlated core | -242.0275460 |
difference | -0.1252790 |
Energy (hartrees) | |
---|---|
frozen core | -241.9022670 |
correlated core | -242.0275460 |
difference | -0.1252790 |
Energy (hartrees) | |
---|---|
frozen core | -241.9022670 |
correlated core | -242.0275460 |
difference | -0.1252790 |
Energy (hartrees) | |
---|---|
frozen core | -241.9022670 |
correlated core | -242.0275460 |
difference | -0.1252790 |