III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.4001688 |
correlated core | -225.4444122 |
difference | -0.0442433 |
Energy (hartrees) | |
---|---|
frozen core | -225.3991268 |
correlated core | -225.4444122 |
difference | -0.0452854 |
Energy (hartrees) | |
---|---|
frozen core | -225.4001688 |
correlated core | -225.4430374 |
difference | -0.0428686 |
Energy (hartrees) | |
---|---|
frozen core | -225.3991268 |
correlated core | -225.4430374 |
difference | -0.0439107 |
Energy (hartrees) | |
---|---|
frozen core | -225.4001689 |
correlated core | -225.4444122 |
difference | -0.0442432 |