III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -150.2002365 |
correlated core | -150.2015795 |
difference | -0.0013430 |
Energy (hartrees) | |
---|---|
frozen core | -150.2002365 |
correlated core | -150.2015788 |
difference | -0.0013423 |
Energy (hartrees) | |
---|---|
frozen core | -150.2002357 |
correlated core | -150.2015795 |
difference | -0.0013438 |
Energy (hartrees) | |
---|---|
frozen core | -150.2002357 |
correlated core | -150.2015788 |
difference | -0.0013430 |