III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -109.4828154 |
correlated core | -109.4924449 |
difference | -0.0096295 |
Energy (hartrees) | |
---|---|
frozen core | -109.4828154 |
correlated core | -109.4924445 |
difference | -0.0096291 |
Energy (hartrees) | |
---|---|
frozen core | -109.4828154 |
correlated core | -109.4924449 |
difference | -0.0096295 |
Energy (hartrees) | |
---|---|
frozen core | -109.4828154 |
correlated core | -109.4924445 |
difference | -0.0096291 |
Energy (hartrees) | |
---|---|
frozen core | -109.4828150 |
correlated core | -109.4924449 |
difference | -0.0096300 |
Energy (hartrees) | |
---|---|
frozen core | -109.4828150 |
correlated core | -109.4924445 |
difference | -0.0096296 |