III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -488.6063159 |
correlated core | -488.6880092 |
difference | -0.0816933 |
Energy (hartrees) | |
---|---|
frozen core | -488.6063155 |
correlated core | -488.6880092 |
difference | -0.0816937 |
Energy (hartrees) | |
---|---|
frozen core | -488.6063159 |
correlated core | -488.6880092 |
difference | -0.0816933 |
Energy (hartrees) | |
---|---|
frozen core | -488.6063159 |
correlated core | -488.6880096 |
difference | -0.0816937 |
Energy (hartrees) | |
---|---|
frozen core | -488.6063155 |
correlated core | -488.6880096 |
difference | -0.0816941 |
Energy (hartrees) | |
---|---|
frozen core | -488.6063159 |
correlated core | -488.6880096 |
difference | -0.0816937 |