III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -239.2043938 |
correlated core | -239.2066041 |
difference | -0.0022103 |
Energy (hartrees) | |
---|---|
frozen core | -239.2043938 |
correlated core | -239.2066041 |
difference | -0.0022103 |
Energy (hartrees) | |
---|---|
frozen core | -239.2043938 |
correlated core | -239.2066041 |
difference | -0.0022103 |
Energy (hartrees) | |
---|---|
frozen core | -239.2043938 |
correlated core | -239.2066041 |
difference | -0.0022103 |