III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -243.6841828 |
correlated core | -243.6942087 |
difference | -0.0100258 |
Energy (hartrees) | |
---|---|
frozen core | -243.6841828 |
correlated core | -243.6942087 |
difference | -0.0100258 |
Energy (hartrees) | |
---|---|
frozen core | -243.6841828 |
correlated core | -243.6942087 |
difference | -0.0100258 |
Energy (hartrees) | |
---|---|
frozen core | -243.6841828 |
correlated core | -243.6942087 |
difference | -0.0100258 |
Energy (hartrees) | |
---|---|
frozen core | -243.6894537 |
correlated core | -243.6994551 |
difference | -0.0100015 |