III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.2421136 |
correlated core | -1998.6863031 |
difference | -0.4441895 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2421135 |
correlated core | -1998.6863031 |
difference | -0.4441895 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2421136 |
correlated core | -1998.6863031 |
difference | -0.4441895 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2421135 |
correlated core | -1998.6863031 |
difference | -0.4441895 |