III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012894 |
difference | -0.0328773 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012894 |
difference | -0.0328773 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684117 |
correlated core | -527.2012894 |
difference | -0.0328777 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012894 |
difference | -0.0328773 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012894 |
difference | -0.0328773 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684117 |
correlated core | -527.2012894 |
difference | -0.0328777 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012890 |
difference | -0.0328769 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684121 |
correlated core | -527.2012890 |
difference | -0.0328769 |
Energy (hartrees) | |
---|---|
frozen core | -527.1684117 |
correlated core | -527.2012890 |
difference | -0.0328773 |