III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -129.5687139 |
correlated core | -129.5737428 |
difference | -0.0050289 |
Energy (hartrees) | |
---|---|
frozen core | -129.5687139 |
correlated core | -129.5737428 |
difference | -0.0050289 |
Energy (hartrees) | |
---|---|
frozen core | -129.5687139 |
correlated core | -129.5737428 |
difference | -0.0050289 |
Energy (hartrees) | |
---|---|
frozen core | -129.5687139 |
correlated core | -129.5737428 |
difference | -0.0050289 |