III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -129.5763735 |
correlated core | -129.5819901 |
difference | -0.0056166 |
Energy (hartrees) | |
---|---|
frozen core | -129.5763735 |
correlated core | -129.5819901 |
difference | -0.0056166 |
Energy (hartrees) | |
---|---|
frozen core | -129.5763735 |
correlated core | -129.5819901 |
difference | -0.0056166 |
Energy (hartrees) | |
---|---|
frozen core | -129.5763735 |
correlated core | -129.5819901 |
difference | -0.0056166 |