III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For (Hydrogen chloride)Energy (hartrees) | |
---|---|
frozen core | -76.1124794 |
correlated core | -76.1149640 |
difference | -0.0024847 |
Energy (hartrees) | |
---|---|
frozen core | -76.0566660 |
correlated core | -76.1149639 |
difference | -0.0582979 |
Energy (hartrees) | |
---|---|
frozen core | -76.1124793 |
correlated core | -76.1149639 |
difference | -0.0024846 |
Energy (hartrees) | |
---|---|
frozen core | -76.0566660 |
correlated core | -76.1149640 |
difference | -0.0582979 |
Energy (hartrees) | |
---|---|
frozen core | -76.1124793 |
correlated core | -76.1149640 |
difference | -0.0024847 |