III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -515.3924017 |
correlated core | -515.4601108 |
difference | -0.0677091 |
Energy (hartrees) | |
---|---|
frozen core | -515.3924016 |
correlated core | -515.4601108 |
difference | -0.0677092 |
Energy (hartrees) | |
---|---|
frozen core | -515.3924018 |
correlated core | -515.4601108 |
difference | -0.0677090 |
Energy (hartrees) | |
---|---|
frozen core | -515.3924017 |
correlated core | -515.4601109 |
difference | -0.0677092 |
Energy (hartrees) | |
---|---|
frozen core | -515.3924016 |
correlated core | -515.4601109 |
difference | -0.0677093 |
Energy (hartrees) | |
---|---|
frozen core | -515.3924018 |
correlated core | -515.4601109 |
difference | -0.0677091 |