III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -3530.7169901 |
correlated core | -3530.8457122 |
difference | -0.1287221 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7169901 |
correlated core | -3530.8457122 |
difference | -0.1287221 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7169901 |
correlated core | -3530.8457122 |
difference | -0.1287221 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7169901 |
correlated core | -3530.8457122 |
difference | -0.1287221 |