III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For GeSe (Disulfane)Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | -0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | -0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9685672 |
correlated core | -2.9685672 |
difference | 0.0000000 |