III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For (silaethylene)Energy (hartrees) | |
---|---|
frozen core | -164.4028092 |
correlated core | -164.4591308 |
difference | -0.0563215 |
Energy (hartrees) | |
---|---|
frozen core | -164.4028092 |
correlated core | -164.4591307 |
difference | -0.0563215 |
Energy (hartrees) | |
---|---|
frozen core | -164.4028093 |
correlated core | -164.4591308 |
difference | -0.0563215 |
Energy (hartrees) | |
---|---|
frozen core | -164.4028093 |
correlated core | -164.4591307 |
difference | -0.0563215 |
Energy (hartrees) | |
---|---|
frozen core | -164.4028092 |
correlated core | -164.4591308 |
difference | -0.0563215 |
Energy (hartrees) | |
---|---|
frozen core | -164.4028092 |
correlated core | -164.4591307 |
difference | -0.0563215 |