III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -164.4413396 |
correlated core | -164.4665636 |
difference | -0.0252239 |
Energy (hartrees) | |
---|---|
frozen core | -164.4413396 |
correlated core | -164.4665636 |
difference | -0.0252240 |
Energy (hartrees) | |
---|---|
frozen core | -164.4413392 |
correlated core | -164.4665636 |
difference | -0.0252244 |
Energy (hartrees) | |
---|---|
frozen core | -164.4413392 |
correlated core | -164.4665636 |
difference | -0.0252244 |