III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9244281 |
correlated core | -289.0484940 |
difference | -0.1240658 |
Energy (hartrees) | |
---|---|
frozen core | -288.9244281 |
correlated core | -289.0484940 |
difference | -0.1240658 |
Energy (hartrees) | |
---|---|
frozen core | -288.9244281 |
correlated core | -289.0484940 |
difference | -0.1240658 |
Energy (hartrees) | |
---|---|
frozen core | -288.9244281 |
correlated core | -289.0484940 |
difference | -0.1240658 |