III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |
Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |
Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |
Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |
Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |
Energy (hartrees) | |
---|---|
frozen core | -98.9283120 |
correlated core | -98.9299569 |
difference | -0.0016448 |