III.G.10.a. |
Energy differences between frozen core and full core for MP4/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -127.6418253 |
correlated core | -127.6420097 |
difference | -0.0001844 |
Energy (hartrees) | |
---|---|
frozen core | -127.6418253 |
correlated core | -127.6420097 |
difference | -0.0001844 |
Energy (hartrees) | |
---|---|
frozen core | -127.6418253 |
correlated core | -127.6420097 |
difference | -0.0001844 |
Energy (hartrees) | |
---|---|
frozen core | -127.6418253 |
correlated core | -127.6420097 |
difference | -0.0001844 |