III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -88.4925629 |
correlated core | -88.4931676 |
difference | -0.0006047 |
Energy (hartrees) | |
---|---|
frozen core | -88.4925628 |
correlated core | -88.4931676 |
difference | -0.0006048 |
Energy (hartrees) | |
---|---|
frozen core | -88.4925629 |
correlated core | -88.4931676 |
difference | -0.0006047 |
Energy (hartrees) | |
---|---|
frozen core | -88.4925628 |
correlated core | -88.4931676 |
difference | -0.0006047 |