III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3163518 |
correlated core | -90.3191159 |
difference | -0.0027641 |
Energy (hartrees) | |
---|---|
frozen core | -90.3163518 |
correlated core | -90.3191159 |
difference | -0.0027641 |
Energy (hartrees) | |
---|---|
frozen core | -90.3154220 |
correlated core | -90.3191159 |
difference | -0.0036939 |
Energy (hartrees) | |
---|---|
frozen core | -90.3163518 |
correlated core | -90.3198305 |
difference | -0.0034787 |
Energy (hartrees) | |
---|---|
frozen core | -90.3163518 |
correlated core | -90.3198305 |
difference | -0.0034787 |
Energy (hartrees) | |
---|---|
frozen core | -90.3154220 |
correlated core | -90.3198305 |
difference | -0.0044085 |
Energy (hartrees) | |
---|---|
frozen core | -90.3154220 |
correlated core | -90.3191159 |
difference | -0.0036939 |