III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7436825 |
correlated core | -291.7536094 |
difference | -0.0099269 |
Energy (hartrees) | |
---|---|
frozen core | -291.7436829 |
correlated core | -291.7536094 |
difference | -0.0099265 |
Energy (hartrees) | |
---|---|
frozen core | -291.7436825 |
correlated core | -291.7536098 |
difference | -0.0099273 |
Energy (hartrees) | |
---|---|
frozen core | -291.7436829 |
correlated core | -291.7536098 |
difference | -0.0099269 |