III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For SO2 (Cyanogen fluoride)Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969625 |
difference | -0.0366959 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366957 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366957 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969625 |
difference | -0.0366959 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366957 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366957 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969625 |
difference | -0.0366960 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366958 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366958 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969625 |
difference | -0.0366960 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366958 |
Energy (hartrees) | |
---|---|
frozen core | -398.2602666 |
correlated core | -398.2969623 |
difference | -0.0366958 |