III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.6955798 |
correlated core | -2077.6985550 |
difference | -0.0029752 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6955458 |
correlated core | -2077.6985550 |
difference | -0.0030093 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6955798 |
correlated core | -2077.6985209 |
difference | -0.0029411 |
Energy (hartrees) | |
---|---|
frozen core | -2077.6955458 |
correlated core | -2077.6985209 |
difference | -0.0029751 |