III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7626554 |
correlated core | -291.7820226 |
difference | -0.0193673 |
Energy (hartrees) | |
---|---|
frozen core | -291.7626559 |
correlated core | -291.7820226 |
difference | -0.0193667 |
Energy (hartrees) | |
---|---|
frozen core | -291.7626554 |
correlated core | -291.7820232 |
difference | -0.0193678 |
Energy (hartrees) | |
---|---|
frozen core | -291.7626559 |
correlated core | -291.7820232 |
difference | -0.0193673 |