III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -280.3498716 |
correlated core | -280.3802640 |
difference | -0.0303924 |
Energy (hartrees) | |
---|---|
frozen core | -280.3498710 |
correlated core | -280.3802640 |
difference | -0.0303930 |
Energy (hartrees) | |
---|---|
frozen core | -280.3498716 |
correlated core | -280.3802640 |
difference | -0.0303924 |
Energy (hartrees) | |
---|---|
frozen core | -280.3498716 |
correlated core | -280.3802639 |
difference | -0.0303923 |
Energy (hartrees) | |
---|---|
frozen core | -280.3498710 |
correlated core | -280.3802639 |
difference | -0.0303928 |
Energy (hartrees) | |
---|---|
frozen core | -280.3498716 |
correlated core | -280.3802639 |
difference | -0.0303923 |