III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.1943830 |
correlated core | -2075.2533209 |
difference | -0.0589379 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1943830 |
correlated core | -2075.2533209 |
difference | -0.0589379 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1943830 |
correlated core | -2075.2533209 |
difference | -0.0589379 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1943830 |
correlated core | -2075.2533209 |
difference | -0.0589379 |