III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6334348 |
correlated core | -534.6587006 |
difference | -0.0252658 |
Energy (hartrees) | |
---|---|
frozen core | -534.6334348 |
correlated core | -534.6587006 |
difference | -0.0252658 |
Energy (hartrees) | |
---|---|
frozen core | -534.6334348 |
correlated core | -534.6587005 |
difference | -0.0252658 |
Energy (hartrees) | |
---|---|
frozen core | -534.6334348 |
correlated core | -534.6587005 |
difference | -0.0252658 |