III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2745118 |
correlated core | -76.2767729 |
difference | -0.0022611 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745118 |
correlated core | -76.2767730 |
difference | -0.0022612 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745119 |
correlated core | -76.2767729 |
difference | -0.0022610 |
Energy (hartrees) | |
---|---|
frozen core | -76.2745119 |
correlated core | -76.2767730 |
difference | -0.0022611 |