III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -92.6858182 |
correlated core | -92.6956166 |
difference | -0.0097984 |
Energy (hartrees) | |
---|---|
frozen core | -92.6877073 |
correlated core | -92.6956166 |
difference | -0.0079093 |
Energy (hartrees) | |
---|---|
frozen core | -92.6858182 |
correlated core | -92.6956166 |
difference | -0.0097984 |
Energy (hartrees) | |
---|---|
frozen core | -92.6877073 |
correlated core | -92.6956166 |
difference | -0.0079093 |