III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -138.7730290 |
correlated core | -138.8102666 |
difference | -0.0372376 |
Energy (hartrees) | |
---|---|
frozen core | -138.7730289 |
correlated core | -138.8102666 |
difference | -0.0372377 |
Energy (hartrees) | |
---|---|
frozen core | -138.7730290 |
correlated core | -138.8102665 |
difference | -0.0372375 |
Energy (hartrees) | |
---|---|
frozen core | -138.7730289 |
correlated core | -138.8102665 |
difference | -0.0372376 |