III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.8595732 |
correlated core | -129.8668086 |
difference | -0.0072354 |
Energy (hartrees) | |
---|---|
frozen core | -129.8595732 |
correlated core | -129.8668086 |
difference | -0.0072354 |
Energy (hartrees) | |
---|---|
frozen core | -129.8595732 |
correlated core | -129.8668086 |
difference | -0.0072354 |
Energy (hartrees) | |
---|---|
frozen core | -129.8595732 |
correlated core | -129.8668086 |
difference | -0.0072354 |