III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -90.2955017 |
correlated core | -90.3024222 |
difference | -0.0069204 |
Energy (hartrees) | |
---|---|
frozen core | -90.2955017 |
correlated core | -90.3024222 |
difference | -0.0069204 |
Energy (hartrees) | |
---|---|
frozen core | -90.2951383 |
correlated core | -90.3023946 |
difference | -0.0072563 |