III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For (Methyl propyl ether)Energy (hartrees) | |
---|---|
frozen core | -74.8985152 |
correlated core | -74.9005868 |
difference | -0.0020716 |
Energy (hartrees) | |
---|---|
frozen core | -74.8985152 |
correlated core | -74.9005868 |
difference | -0.0020716 |
Energy (hartrees) | |
---|---|
frozen core | -74.8985152 |
correlated core | -74.9005868 |
difference | -0.0020716 |
Energy (hartrees) | |
---|---|
frozen core | -74.8985152 |
correlated core | -74.9005868 |
difference | -0.0020716 |