III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2072497 |
correlated core | -76.2095162 |
difference | -0.0022666 |
Energy (hartrees) | |
---|---|
frozen core | -76.2072497 |
correlated core | -76.2095160 |
difference | -0.0022663 |
Energy (hartrees) | |
---|---|
frozen core | -76.2073316 |
correlated core | -76.2095162 |
difference | -0.0021846 |
Energy (hartrees) | |
---|---|
frozen core | -76.2073316 |
correlated core | -76.2095160 |
difference | -0.0021844 |