III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -225.0589923 |
correlated core | -225.0657174 |
difference | -0.0067251 |
Energy (hartrees) | |
---|---|
frozen core | -225.0540476 |
correlated core | -225.0657174 |
difference | -0.0116698 |
Energy (hartrees) | |
---|---|
frozen core | -225.0589923 |
correlated core | -225.0607749 |
difference | -0.0017827 |
Energy (hartrees) | |
---|---|
frozen core | -225.0540476 |
correlated core | -225.0607749 |
difference | -0.0067274 |
Energy (hartrees) | |
---|---|
frozen core | -225.0589922 |
correlated core | -225.0657174 |
difference | -0.0067251 |