III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -326.7549937 |
correlated core | -326.7628478 |
difference | -0.0078541 |
Energy (hartrees) | |
---|---|
frozen core | -326.7549936 |
correlated core | -326.7628478 |
difference | -0.0078542 |
Energy (hartrees) | |
---|---|
frozen core | -326.7549937 |
correlated core | -326.7628476 |
difference | -0.0078539 |
Energy (hartrees) | |
---|---|
frozen core | -326.7549936 |
correlated core | -326.7628476 |
difference | -0.0078541 |