III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |
Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |
Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |
Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |
Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |
Energy (hartrees) | |
---|---|
frozen core | -388.6587946 |
correlated core | -388.8016710 |
difference | -0.1428764 |