III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.4221607 |
correlated core | -90.4441362 |
difference | -0.0219755 |
Energy (hartrees) | |
---|---|
frozen core | -90.4221607 |
correlated core | -90.4441362 |
difference | -0.0219755 |
Energy (hartrees) | |
---|---|
frozen core | -90.4208812 |
correlated core | -90.4438201 |
difference | -0.0229389 |