III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021351 |
difference | -0.0749122 |
Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021352 |
difference | -0.0749122 |
Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021351 |
difference | -0.0749122 |
Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021352 |
difference | -0.0749122 |
Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021351 |
difference | -0.0749122 |
Energy (hartrees) | |
---|---|
frozen core | -353.4272230 |
correlated core | -353.5021352 |
difference | -0.0749122 |