III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |
Energy (hartrees) | |
---|---|
frozen core | -241.6943903 |
correlated core | -241.8199241 |
difference | -0.1255338 |