III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1569110 |
correlated core | -77.2003441 |
difference | -0.0434331 |
Energy (hartrees) | |
---|---|
frozen core | -77.1569110 |
correlated core | -77.2003441 |
difference | -0.0434331 |
Energy (hartrees) | |
---|---|
frozen core | -77.1569110 |
correlated core | -77.2003441 |
difference | -0.0434331 |
Energy (hartrees) | |
---|---|
frozen core | -77.1569110 |
correlated core | -77.2003441 |
difference | -0.0434331 |