III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3928026 |
correlated core | -291.3998995 |
difference | -0.0070968 |
Energy (hartrees) | |
---|---|
frozen core | -291.3928025 |
correlated core | -291.3998995 |
difference | -0.0070970 |
Energy (hartrees) | |
---|---|
frozen core | -291.3928026 |
correlated core | -291.3998993 |
difference | -0.0070967 |
Energy (hartrees) | |
---|---|
frozen core | -291.3928025 |
correlated core | -291.3998993 |
difference | -0.0070968 |