III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.5686974 |
correlated core | -1998.6766614 |
difference | -0.1079640 |
Energy (hartrees) | |
---|---|
frozen core | -1998.5686974 |
correlated core | -1998.6766614 |
difference | -0.1079639 |
Energy (hartrees) | |
---|---|
frozen core | -1998.5686974 |
correlated core | -1998.6766614 |
difference | -0.1079640 |
Energy (hartrees) | |
---|---|
frozen core | -1998.5686974 |
correlated core | -1998.6766614 |
difference | -0.1079640 |