III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.1854792 |
correlated core | -452.1940360 |
difference | -0.0085568 |
Energy (hartrees) | |
---|---|
frozen core | -452.1854792 |
correlated core | -452.1940358 |
difference | -0.0085566 |
Energy (hartrees) | |
---|---|
frozen core | -452.1854790 |
correlated core | -452.1940360 |
difference | -0.0085570 |
Energy (hartrees) | |
---|---|
frozen core | -452.1854790 |
correlated core | -452.1940358 |
difference | -0.0085568 |