III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -483.8795000 |
correlated core | -484.5060409 |
difference | -0.6265409 |
Energy (hartrees) | |
---|---|
frozen core | -483.8795000 |
correlated core | -484.5060409 |
difference | -0.6265409 |
Energy (hartrees) | |
---|---|
frozen core | -483.8795000 |
correlated core | -484.5060409 |
difference | -0.6265409 |
Energy (hartrees) | |
---|---|
frozen core | -483.8795000 |
correlated core | -484.5060409 |
difference | -0.6265409 |