III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7575188 |
correlated core | -535.1491053 |
difference | -0.3915865 |
Energy (hartrees) | |
---|---|
frozen core | -534.7575189 |
correlated core | -535.1491053 |
difference | -0.3915864 |
Energy (hartrees) | |
---|---|
frozen core | -534.7575188 |
correlated core | -535.1491054 |
difference | -0.3915866 |
Energy (hartrees) | |
---|---|
frozen core | -534.7575189 |
correlated core | -535.1491054 |
difference | -0.3915865 |