III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2745170 |
correlated core | -76.2753433 |
difference | -0.0008263 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745170 |
correlated core | -76.2753433 |
difference | -0.0008263 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745170 |
correlated core | -76.2753433 |
difference | -0.0008263 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745170 |
correlated core | -76.2753433 |
difference | -0.0008263 |
Energy (hartrees) | |
---|---|
frozen core | -76.2787984 |
correlated core | -76.2796002 |
difference | -0.0008017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2787984 |
correlated core | -76.2796001 |
difference | -0.0008017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2787984 |
correlated core | -76.2796002 |
difference | -0.0008017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2787984 |
correlated core | -76.2796001 |
difference | -0.0008017 |