III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0598606 |
correlated core | -26.0752745 |
difference | -0.0154140 |
Energy (hartrees) | |
---|---|
frozen core | -26.0598606 |
correlated core | -26.0752744 |
difference | -0.0154139 |
Energy (hartrees) | |
---|---|
frozen core | -26.0598603 |
correlated core | -26.0752745 |
difference | -0.0154142 |
Energy (hartrees) | |
---|---|
frozen core | -26.0598603 |
correlated core | -26.0752744 |
difference | -0.0154141 |
Energy (hartrees) | |
---|---|
frozen core | -26.0598604 |
correlated core | -26.0752745 |
difference | -0.0154141 |
Energy (hartrees) | |
---|---|
frozen core | -26.0598604 |
correlated core | -26.0752744 |
difference | -0.0154140 |
Energy (hartrees) | |
---|---|
frozen core | -26.0551848 |
correlated core | -26.0704885 |
difference | -0.0153037 |