III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -95.2072440 |
correlated core | -95.5419420 |
difference | -0.3346980 |
Energy (hartrees) | |
---|---|
frozen core | -95.5324234 |
correlated core | -95.5419420 |
difference | -0.0095187 |
Energy (hartrees) | |
---|---|
frozen core | -95.5343318 |
correlated core | -95.5419420 |
difference | -0.0076102 |
Energy (hartrees) | |
---|---|
frozen core | -95.5343318 |
correlated core | -95.5419420 |
difference | -0.0076103 |
Energy (hartrees) | |
---|---|
frozen core | -95.2072440 |
correlated core | -95.5419420 |
difference | -0.3346980 |
Energy (hartrees) | |
---|---|
frozen core | -95.5324234 |
correlated core | -95.5419420 |
difference | -0.0095186 |
Energy (hartrees) | |
---|---|
frozen core | -95.5343318 |
correlated core | -95.5419420 |
difference | -0.0076102 |
Energy (hartrees) | |
---|---|
frozen core | -95.5343318 |
correlated core | -95.5419420 |
difference | -0.0076102 |