III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -138.7066425 |
correlated core | -138.7281080 |
difference | -0.0214655 |
Energy (hartrees) | |
---|---|
frozen core | -138.7066425 |
correlated core | -138.7281080 |
difference | -0.0214655 |
Energy (hartrees) | |
---|---|
frozen core | -138.7066425 |
correlated core | -138.7281080 |
difference | -0.0214655 |
Energy (hartrees) | |
---|---|
frozen core | -138.7066425 |
correlated core | -138.7281080 |
difference | -0.0214655 |