III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -113.0291292 |
correlated core | -113.0365462 |
difference | -0.0074170 |
Energy (hartrees) | |
---|---|
frozen core | -113.0291292 |
correlated core | -113.0365462 |
difference | -0.0074170 |
Energy (hartrees) | |
---|---|
frozen core | -113.0291292 |
correlated core | -113.0365462 |
difference | -0.0074170 |
Energy (hartrees) | |
---|---|
frozen core | -113.0291292 |
correlated core | -113.0365462 |
difference | -0.0074170 |