III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -152.7992500 |
correlated core | -152.8089447 |
difference | -0.0096947 |
Energy (hartrees) | |
---|---|
frozen core | -152.7992500 |
correlated core | -152.8089447 |
difference | -0.0096947 |
Energy (hartrees) | |
---|---|
frozen core | -152.7992500 |
correlated core | -152.8089447 |
difference | -0.0096946 |
Energy (hartrees) | |
---|---|
frozen core | -152.7992500 |
correlated core | -152.8089447 |
difference | -0.0096947 |