III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1403.7576843 |
correlated core | -1403.7986878 |
difference | -0.0410035 |
Energy (hartrees) | |
---|---|
frozen core | -1403.7639205 |
correlated core | -1403.7986878 |
difference | -0.0347673 |
Energy (hartrees) | |
---|---|
frozen core | -1403.7576843 |
correlated core | -1403.7986878 |
difference | -0.0410035 |
Energy (hartrees) | |
---|---|
frozen core | -1403.7639205 |
correlated core | -1403.7986878 |
difference | -0.0347673 |