III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7616082 |
correlated core | -291.7795502 |
difference | -0.0179420 |
Energy (hartrees) | |
---|---|
frozen core | -291.7616082 |
correlated core | -291.7795502 |
difference | -0.0179420 |
Energy (hartrees) | |
---|---|
frozen core | -291.7616089 |
correlated core | -291.7795502 |
difference | -0.0179413 |
Energy (hartrees) | |
---|---|
frozen core | -291.7616082 |
correlated core | -291.7795508 |
difference | -0.0179426 |
Energy (hartrees) | |
---|---|
frozen core | -291.7616082 |
correlated core | -291.7795508 |
difference | -0.0179426 |
Energy (hartrees) | |
---|---|
frozen core | -291.7616089 |
correlated core | -291.7795508 |
difference | -0.0179418 |