III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -127.4303718 |
correlated core | -127.4306931 |
difference | -0.0003213 |
Energy (hartrees) | |
---|---|
frozen core | -127.4303718 |
correlated core | -127.4306931 |
difference | -0.0003213 |
Energy (hartrees) | |
---|---|
frozen core | -127.4303718 |
correlated core | -127.4306931 |
difference | -0.0003213 |
Energy (hartrees) | |
---|---|
frozen core | -127.4303718 |
correlated core | -127.4306931 |
difference | -0.0003213 |