III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -1988.4064020 |
correlated core | -1988.4117791 |
difference | -0.0053771 |
Energy (hartrees) | |
---|---|
frozen core | -1988.4064020 |
correlated core | -1988.4117791 |
difference | -0.0053772 |
Energy (hartrees) | |
---|---|
frozen core | -1988.4064020 |
correlated core | -1988.4117791 |
difference | -0.0053771 |
Energy (hartrees) | |
---|---|
frozen core | -1988.4064020 |
correlated core | -1988.4117791 |
difference | -0.0053772 |