III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For (2-Propen-1-ol)Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832344 |
difference | -0.0248860 |
Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832344 |
difference | -0.0248860 |
Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832344 |
difference | -0.0248859 |
Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832344 |
difference | -0.0248860 |
Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832343 |
difference | -0.0248859 |
Energy (hartrees) | |
---|---|
frozen core | -106.8583484 |
correlated core | -106.8832343 |
difference | -0.0248860 |