III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.6882965 |
correlated core | -2075.7348194 |
difference | -0.0465229 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6882965 |
correlated core | -2075.7348194 |
difference | -0.0465229 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6882965 |
correlated core | -2075.7348194 |
difference | -0.0465229 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6882965 |
correlated core | -2075.7348194 |
difference | -0.0465229 |