III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -108.7770922 |
correlated core | -108.7781115 |
difference | -0.0010193 |
Energy (hartrees) | |
---|---|
frozen core | -108.7770922 |
correlated core | -108.7781113 |
difference | -0.0010191 |
Energy (hartrees) | |
---|---|
frozen core | -108.7770922 |
correlated core | -108.7781115 |
difference | -0.0010193 |
Energy (hartrees) | |
---|---|
frozen core | -108.7770922 |
correlated core | -108.7781113 |
difference | -0.0010191 |
Energy (hartrees) | |
---|---|
frozen core | -108.7770920 |
correlated core | -108.7781115 |
difference | -0.0010195 |
Energy (hartrees) | |
---|---|
frozen core | -108.7770920 |
correlated core | -108.7781113 |
difference | -0.0010193 |