III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -795.4200931 |
correlated core | -795.6244822 |
difference | -0.2043891 |
Energy (hartrees) | |
---|---|
frozen core | -795.4200931 |
correlated core | -795.6244822 |
difference | -0.2043891 |
Energy (hartrees) | |
---|---|
frozen core | -795.4200931 |
correlated core | -795.6244822 |
difference | -0.2043891 |
Energy (hartrees) | |
---|---|
frozen core | -795.4200931 |
correlated core | -795.6244822 |
difference | -0.2043891 |