III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.3432412 |
correlated core | -460.3779767 |
difference | -0.0347355 |
Energy (hartrees) | |
---|---|
frozen core | -460.3432412 |
correlated core | -460.3779767 |
difference | -0.0347355 |
Energy (hartrees) | |
---|---|
frozen core | -460.3432412 |
correlated core | -460.3779767 |
difference | -0.0347355 |
Energy (hartrees) | |
---|---|
frozen core | -460.3432412 |
correlated core | -460.3779767 |
difference | -0.0347355 |