III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.9927967 |
correlated core | -153.0125464 |
difference | -0.0197497 |
Energy (hartrees) | |
---|---|
frozen core | -152.9927967 |
correlated core | -153.0125464 |
difference | -0.0197497 |
Energy (hartrees) | |
---|---|
frozen core | -152.9927967 |
correlated core | -153.0125464 |
difference | -0.0197497 |
Energy (hartrees) | |
---|---|
frozen core | -152.9927967 |
correlated core | -153.0125464 |
difference | -0.0197497 |
Energy (hartrees) | |
---|---|
frozen core | -152.9927966 |
correlated core | -153.0125464 |
difference | -0.0197498 |
Energy (hartrees) | |
---|---|
frozen core | -152.9927966 |
correlated core | -153.0125464 |
difference | -0.0197498 |