III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -280.3128246 |
correlated core | -280.3881395 |
difference | -0.0753149 |
Energy (hartrees) | |
---|---|
frozen core | -280.3128244 |
correlated core | -280.3881395 |
difference | -0.0753151 |
Energy (hartrees) | |
---|---|
frozen core | -280.3128246 |
correlated core | -280.3881394 |
difference | -0.0753147 |
Energy (hartrees) | |
---|---|
frozen core | -280.3128244 |
correlated core | -280.3881394 |
difference | -0.0753150 |