III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -261.6821063 |
correlated core | -261.7267009 |
difference | -0.0445946 |
Energy (hartrees) | |
---|---|
frozen core | -261.6821062 |
correlated core | -261.7267009 |
difference | -0.0445947 |
Energy (hartrees) | |
---|---|
frozen core | -261.6821063 |
correlated core | -261.7267006 |
difference | -0.0445943 |
Energy (hartrees) | |
---|---|
frozen core | -261.6821062 |
correlated core | -261.7267006 |
difference | -0.0445944 |