III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -278.2163424 |
correlated core | -278.2328989 |
difference | -0.0165565 |
Energy (hartrees) | |
---|---|
frozen core | -278.2175665 |
correlated core | -278.2341321 |
difference | -0.0165656 |
Energy (hartrees) | |
---|---|
frozen core | -278.2175668 |
correlated core | -278.2341321 |
difference | -0.0165652 |