III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |
Energy (hartrees) | |
---|---|
frozen core | -95.6017889 |
correlated core | -95.6184098 |
difference | -0.0166209 |