III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -225.1880163 |
correlated core | -225.2438116 |
difference | -0.0557953 |
Energy (hartrees) | |
---|---|
frozen core | -225.1880163 |
correlated core | -225.2449050 |
difference | -0.0568887 |
Energy (hartrees) | |
---|---|
frozen core | -225.1892333 |
correlated core | -225.2438116 |
difference | -0.0545783 |
Energy (hartrees) | |
---|---|
frozen core | -225.1892333 |
correlated core | -225.2449050 |
difference | -0.0556716 |
Energy (hartrees) | |
---|---|
frozen core | -225.1880163 |
correlated core | -225.2438123 |
difference | -0.0557960 |