III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351246 |
difference | -0.3910642 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351246 |
difference | -0.3910642 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440603 |
correlated core | -535.1351246 |
difference | -0.3910643 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351246 |
difference | -0.3910642 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351246 |
difference | -0.3910642 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440603 |
correlated core | -535.1351246 |
difference | -0.3910643 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351245 |
difference | -0.3910641 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440604 |
correlated core | -535.1351245 |
difference | -0.3910641 |
Energy (hartrees) | |
---|---|
frozen core | -534.7440603 |
correlated core | -535.1351245 |
difference | -0.3910642 |