III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -76.1198647 |
correlated core | -76.1207715 |
difference | -0.0009068 |
Energy (hartrees) | |
---|---|
frozen core | -76.1198647 |
correlated core | -76.1065254 |
difference | 0.0133393 |
Energy (hartrees) | |
---|---|
frozen core | -76.1056343 |
correlated core | -76.1207715 |
difference | -0.0151371 |
Energy (hartrees) | |
---|---|
frozen core | -76.1056343 |
correlated core | -76.1065254 |
difference | -0.0008910 |